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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import { mmCIF_Schema } from '../../../mol-io/reader/cif/schema/mmcif';
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import { Table } from '../../../mol-data/db';
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import { mmCIF_chemComp_schema } from '../../../mol-io/reader/cif/schema/mmcif-extras';
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export declare type Entry = Table<mmCIF_Schema['entry']>;
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export declare type Struct = Table<mmCIF_Schema['struct']>;
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export declare type StructAsym = Table<mmCIF_Schema['struct_asym']>;
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export declare type IhmModelList = Table<mmCIF_Schema['ihm_model_list']>;
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export declare type IhmModelGroup = Table<mmCIF_Schema['ihm_model_group']>;
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export declare type IhmModelGroupLink = Table<mmCIF_Schema['ihm_model_group_link']>;
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export declare type Entity = Table<mmCIF_Schema['entity']>;
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export declare type EntityPoly = Table<mmCIF_Schema['entity_poly']>;
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export declare type EntityPolySeq = Table<mmCIF_Schema['entity_poly_seq']>;
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export declare type EntityBranch = Table<mmCIF_Schema['pdbx_entity_branch']>;
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export declare type ChemComp = Table<mmCIF_chemComp_schema>;
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export declare type ChemCompIdentifier = Table<mmCIF_Schema['pdbx_chem_comp_identifier']>;
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export declare type AtomSite = Table<mmCIF_Schema['atom_site']>;
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export declare type IhmSphereObjSite = Table<mmCIF_Schema['ihm_sphere_obj_site']>;
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export declare type IhmGaussianObjSite = Table<mmCIF_Schema['ihm_gaussian_obj_site']>;
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export declare type UnobsOrZeroOccResidues = Table<mmCIF_Schema['pdbx_unobs_or_zero_occ_residues']>;
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export declare type Molecule = Table<mmCIF_Schema['pdbx_molecule']>;
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export declare const BasicSchema: {
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entry: {
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id: import("../../../mol-data/db/column").Column.Schema.Str;
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};
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struct: {
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entry_id: import("../../../mol-data/db/column").Column.Schema.Str;
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title: import("../../../mol-data/db/column").Column.Schema.Str;
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pdbx_descriptor: import("../../../mol-data/db/column").Column.Schema.Str;
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};
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struct_asym: {
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details: import("../../../mol-data/db/column").Column.Schema.Str;
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entity_id: import("../../../mol-data/db/column").Column.Schema.Str;
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id: import("../../../mol-data/db/column").Column.Schema.Str;
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pdbx_modified: import("../../../mol-data/db/column").Column.Schema.Str;
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pdbx_blank_PDB_chainid_flag: import("../../../mol-data/db/column").Column.Schema.Aliased<"N" | "Y">;
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};
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ihm_model_list: {
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model_id: import("../../../mol-data/db/column").Column.Schema.Int;
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model_name: import("../../../mol-data/db/column").Column.Schema.Str;
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assembly_id: import("../../../mol-data/db/column").Column.Schema.Int;
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protocol_id: import("../../../mol-data/db/column").Column.Schema.Int;
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representation_id: import("../../../mol-data/db/column").Column.Schema.Int;
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};
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ihm_model_group: {
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id: import("../../../mol-data/db/column").Column.Schema.Int;
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name: import("../../../mol-data/db/column").Column.Schema.Str;
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details: import("../../../mol-data/db/column").Column.Schema.Str;
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};
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ihm_model_group_link: {
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model_id: import("../../../mol-data/db/column").Column.Schema.Int;
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group_id: import("../../../mol-data/db/column").Column.Schema.Int;
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};
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entity: {
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details: import("../../../mol-data/db/column").Column.Schema.Str;
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formula_weight: import("../../../mol-data/db/column").Column.Schema.Float;
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id: import("../../../mol-data/db/column").Column.Schema.Str;
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src_method: import("../../../mol-data/db/column").Column.Schema.Aliased<"nat" | "man" | "syn">;
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type: import("../../../mol-data/db/column").Column.Schema.Aliased<"non-polymer" | "polymer" | "macrolide" | "water" | "branched">;
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pdbx_description: import("../../../mol-data/db/column").Column.Schema.List<string>;
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pdbx_number_of_molecules: import("../../../mol-data/db/column").Column.Schema.Int;
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pdbx_mutation: import("../../../mol-data/db/column").Column.Schema.Str;
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pdbx_fragment: import("../../../mol-data/db/column").Column.Schema.Str;
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pdbx_ec: import("../../../mol-data/db/column").Column.Schema.List<string>;
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};
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entity_poly: {
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entity_id: import("../../../mol-data/db/column").Column.Schema.Str;
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nstd_linkage: import("../../../mol-data/db/column").Column.Schema.Aliased<"y" | "yes" | "no" | "n">;
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nstd_monomer: import("../../../mol-data/db/column").Column.Schema.Aliased<"y" | "yes" | "no" | "n">;
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type: import("../../../mol-data/db/column").Column.Schema.Aliased<"other" | "polypeptide(D)" | "polypeptide(L)" | "polydeoxyribonucleotide" | "polyribonucleotide" | "polydeoxyribonucleotide/polyribonucleotide hybrid" | "cyclic-pseudo-peptide" | "peptide nucleic acid">;
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pdbx_strand_id: import("../../../mol-data/db/column").Column.Schema.List<string>;
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pdbx_seq_one_letter_code: import("../../../mol-data/db/column").Column.Schema.Str;
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pdbx_seq_one_letter_code_can: import("../../../mol-data/db/column").Column.Schema.Str;
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pdbx_target_identifier: import("../../../mol-data/db/column").Column.Schema.Str;
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};
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entity_poly_seq: {
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entity_id: import("../../../mol-data/db/column").Column.Schema.Str;
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hetero: import("../../../mol-data/db/column").Column.Schema.Aliased<"y" | "yes" | "no" | "n">;
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mon_id: import("../../../mol-data/db/column").Column.Schema.Str;
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num: import("../../../mol-data/db/column").Column.Schema.Int;
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};
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pdbx_entity_branch: {
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entity_id: import("../../../mol-data/db/column").Column.Schema.Str;
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type: import("../../../mol-data/db/column").Column.Schema.Aliased<"oligosaccharide">;
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};
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chem_comp: {
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type: import("../../../mol-data/db/column").Column.Schema.Aliased<"other" | "D-peptide linking" | "L-peptide linking" | "D-peptide NH3 amino terminus" | "L-peptide NH3 amino terminus" | "D-peptide COOH carboxy terminus" | "L-peptide COOH carboxy terminus" | "DNA linking" | "RNA linking" | "L-RNA linking" | "L-DNA linking" | "DNA OH 5 prime terminus" | "RNA OH 5 prime terminus" | "DNA OH 3 prime terminus" | "RNA OH 3 prime terminus" | "D-saccharide, beta linking" | "D-saccharide, alpha linking" | "L-saccharide, beta linking" | "L-saccharide, alpha linking" | "L-saccharide" | "D-saccharide" | "saccharide" | "non-polymer" | "peptide linking" | "peptide-like" | "L-gamma-peptide, C-delta linking" | "D-gamma-peptide, C-delta linking" | "L-beta-peptide, C-gamma linking" | "D-beta-peptide, C-gamma linking" | "Ion" | "Lipid">;
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formula: import("../../../mol-data/db/column").Column.Schema.Str;
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formula_weight: import("../../../mol-data/db/column").Column.Schema.Float;
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id: import("../../../mol-data/db/column").Column.Schema.Str;
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mon_nstd_flag: import("../../../mol-data/db/column").Column.Schema.Aliased<"y" | "yes" | "no" | "n">;
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name: import("../../../mol-data/db/column").Column.Schema.Str;
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pdbx_synonyms: import("../../../mol-data/db/column").Column.Schema.List<string>;
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};
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pdbx_chem_comp_identifier: {
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comp_id: import("../../../mol-data/db/column").Column.Schema.Str;
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identifier: import("../../../mol-data/db/column").Column.Schema.Str;
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type: import("../../../mol-data/db/column").Column.Schema.Aliased<"COMMON NAME" | "SYSTEMATIC NAME" | "CAS REGISTRY NUMBER" | "PUBCHEM Identifier" | "MDL Identifier" | "SYNONYM" | "CONDENSED IUPAC CARB SYMBOL" | "IUPAC CARB SYMBOL" | "SNFG CARB SYMBOL" | "CONDENSED IUPAC CARBOHYDRATE SYMBOL" | "IUPAC CARBOHYDRATE SYMBOL" | "SNFG CARBOHYDRATE SYMBOL">;
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program: import("../../../mol-data/db/column").Column.Schema.Str;
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program_version: import("../../../mol-data/db/column").Column.Schema.Str;
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};
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atom_site: {
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auth_asym_id: import("../../../mol-data/db/column").Column.Schema.Str;
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auth_atom_id: import("../../../mol-data/db/column").Column.Schema.Str;
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auth_comp_id: import("../../../mol-data/db/column").Column.Schema.Str;
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auth_seq_id: import("../../../mol-data/db/column").Column.Schema.Int;
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B_iso_or_equiv: import("../../../mol-data/db/column").Column.Schema.Float;
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Cartn_x: import("../../../mol-data/db/column").Column.Schema.Coordinate;
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Cartn_y: import("../../../mol-data/db/column").Column.Schema.Coordinate;
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Cartn_z: import("../../../mol-data/db/column").Column.Schema.Coordinate;
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group_PDB: import("../../../mol-data/db/column").Column.Schema.Aliased<"ATOM" | "HETATM">;
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id: import("../../../mol-data/db/column").Column.Schema.Int;
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label_alt_id: import("../../../mol-data/db/column").Column.Schema.Str;
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label_asym_id: import("../../../mol-data/db/column").Column.Schema.Str;
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label_atom_id: import("../../../mol-data/db/column").Column.Schema.Str;
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label_comp_id: import("../../../mol-data/db/column").Column.Schema.Str;
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label_entity_id: import("../../../mol-data/db/column").Column.Schema.Str;
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label_seq_id: import("../../../mol-data/db/column").Column.Schema.Int;
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occupancy: import("../../../mol-data/db/column").Column.Schema.Float;
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type_symbol: import("../../../mol-data/db/column").Column.Schema.Str;
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pdbx_PDB_ins_code: import("../../../mol-data/db/column").Column.Schema.Str;
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pdbx_PDB_model_num: import("../../../mol-data/db/column").Column.Schema.Int;
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pdbx_formal_charge: import("../../../mol-data/db/column").Column.Schema.Int;
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ihm_model_id: import("../../../mol-data/db/column").Column.Schema.Int;
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};
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ihm_sphere_obj_site: {
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id: import("../../../mol-data/db/column").Column.Schema.Int;
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entity_id: import("../../../mol-data/db/column").Column.Schema.Str;
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seq_id_begin: import("../../../mol-data/db/column").Column.Schema.Int;
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seq_id_end: import("../../../mol-data/db/column").Column.Schema.Int;
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asym_id: import("../../../mol-data/db/column").Column.Schema.Str;
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Cartn_x: import("../../../mol-data/db/column").Column.Schema.Float;
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Cartn_y: import("../../../mol-data/db/column").Column.Schema.Float;
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Cartn_z: import("../../../mol-data/db/column").Column.Schema.Float;
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object_radius: import("../../../mol-data/db/column").Column.Schema.Float;
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rmsf: import("../../../mol-data/db/column").Column.Schema.Float;
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|
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model_id: import("../../../mol-data/db/column").Column.Schema.Int;
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|
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};
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|
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ihm_gaussian_obj_site: {
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|
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id: import("../../../mol-data/db/column").Column.Schema.Int;
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entity_id: import("../../../mol-data/db/column").Column.Schema.Str;
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|
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seq_id_begin: import("../../../mol-data/db/column").Column.Schema.Int;
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seq_id_end: import("../../../mol-data/db/column").Column.Schema.Int;
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|
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asym_id: import("../../../mol-data/db/column").Column.Schema.Str;
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mean_Cartn_x: import("../../../mol-data/db/column").Column.Schema.Float;
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mean_Cartn_y: import("../../../mol-data/db/column").Column.Schema.Float;
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mean_Cartn_z: import("../../../mol-data/db/column").Column.Schema.Float;
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weight: import("../../../mol-data/db/column").Column.Schema.Float;
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covariance_matrix: import("../../../mol-data/db/column").Column.Schema.Tensor;
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|
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model_id: import("../../../mol-data/db/column").Column.Schema.Int;
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};
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|
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pdbx_unobs_or_zero_occ_residues: {
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|
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id: import("../../../mol-data/db/column").Column.Schema.Int;
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|
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polymer_flag: import("../../../mol-data/db/column").Column.Schema.Aliased<"N" | "Y">;
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|
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occupancy_flag: import("../../../mol-data/db/column").Column.Schema.Aliased<"1" | "0">;
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PDB_model_num: import("../../../mol-data/db/column").Column.Schema.Int;
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|
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auth_asym_id: import("../../../mol-data/db/column").Column.Schema.Str;
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auth_comp_id: import("../../../mol-data/db/column").Column.Schema.Str;
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auth_seq_id: import("../../../mol-data/db/column").Column.Schema.Str;
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PDB_ins_code: import("../../../mol-data/db/column").Column.Schema.Str;
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|
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label_asym_id: import("../../../mol-data/db/column").Column.Schema.Str;
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label_comp_id: import("../../../mol-data/db/column").Column.Schema.Str;
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|
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label_seq_id: import("../../../mol-data/db/column").Column.Schema.Int;
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|
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};
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|
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pdbx_molecule: {
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|
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prd_id: import("../../../mol-data/db/column").Column.Schema.Str;
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|
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instance_id: import("../../../mol-data/db/column").Column.Schema.Int;
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|
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asym_id: import("../../../mol-data/db/column").Column.Schema.Str;
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173
|
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};
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174
|
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};
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175
|
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export interface BasicData {
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176
|
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entry: Entry;
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177
|
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struct: Struct;
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178
|
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struct_asym: StructAsym;
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179
|
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ihm_model_list: IhmModelList;
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180
|
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ihm_model_group: IhmModelGroup;
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181
|
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ihm_model_group_link: IhmModelGroupLink;
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182
|
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entity: Entity;
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183
|
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entity_poly: EntityPoly;
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184
|
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entity_poly_seq: EntityPolySeq;
|
|
185
|
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pdbx_entity_branch: EntityBranch;
|
|
186
|
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chem_comp: ChemComp;
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187
|
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pdbx_chem_comp_identifier: ChemCompIdentifier;
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|
188
|
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atom_site: AtomSite;
|
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189
|
-
ihm_sphere_obj_site: IhmSphereObjSite;
|
|
190
|
-
ihm_gaussian_obj_site: IhmGaussianObjSite;
|
|
191
|
-
pdbx_unobs_or_zero_occ_residues: UnobsOrZeroOccResidues;
|
|
192
|
-
pdbx_molecule: Molecule;
|
|
193
|
-
}
|
|
194
|
-
export declare function createBasic(data: Partial<BasicData>): BasicData;
|
|
@@ -1,45 +0,0 @@
|
|
|
1
|
-
"use strict";
|
|
2
|
-
/**
|
|
3
|
-
* Copyright (c) 2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
4
|
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*
|
|
5
|
-
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
6
|
-
*/
|
|
7
|
-
Object.defineProperty(exports, "__esModule", { value: true });
|
|
8
|
-
exports.createBasic = exports.BasicSchema = void 0;
|
|
9
|
-
var mmcif_1 = require("../../../mol-io/reader/cif/schema/mmcif");
|
|
10
|
-
var db_1 = require("../../../mol-data/db");
|
|
11
|
-
var mmcif_extras_1 = require("../../../mol-io/reader/cif/schema/mmcif-extras");
|
|
12
|
-
exports.BasicSchema = {
|
|
13
|
-
entry: mmcif_1.mmCIF_Schema.entry,
|
|
14
|
-
struct: mmcif_1.mmCIF_Schema.struct,
|
|
15
|
-
struct_asym: mmcif_1.mmCIF_Schema.struct_asym,
|
|
16
|
-
ihm_model_list: mmcif_1.mmCIF_Schema.ihm_model_list,
|
|
17
|
-
ihm_model_group: mmcif_1.mmCIF_Schema.ihm_model_group,
|
|
18
|
-
ihm_model_group_link: mmcif_1.mmCIF_Schema.ihm_model_group_link,
|
|
19
|
-
entity: mmcif_1.mmCIF_Schema.entity,
|
|
20
|
-
entity_poly: mmcif_1.mmCIF_Schema.entity_poly,
|
|
21
|
-
entity_poly_seq: mmcif_1.mmCIF_Schema.entity_poly_seq,
|
|
22
|
-
pdbx_entity_branch: mmcif_1.mmCIF_Schema.pdbx_entity_branch,
|
|
23
|
-
chem_comp: mmcif_extras_1.mmCIF_chemComp_schema,
|
|
24
|
-
pdbx_chem_comp_identifier: mmcif_1.mmCIF_Schema.pdbx_chem_comp_identifier,
|
|
25
|
-
atom_site: mmcif_1.mmCIF_Schema.atom_site,
|
|
26
|
-
ihm_sphere_obj_site: mmcif_1.mmCIF_Schema.ihm_sphere_obj_site,
|
|
27
|
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ihm_gaussian_obj_site: mmcif_1.mmCIF_Schema.ihm_gaussian_obj_site,
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pdbx_unobs_or_zero_occ_residues: mmcif_1.mmCIF_Schema.pdbx_unobs_or_zero_occ_residues,
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pdbx_molecule: mmcif_1.mmCIF_Schema.pdbx_molecule,
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};
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function createBasic(data) {
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var basic = Object.create(null);
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for (var _i = 0, _a = Object.keys(exports.BasicSchema); _i < _a.length; _i++) {
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var name_1 = _a[_i];
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if (name_1 in data) {
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basic[name_1] = data[name_1];
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}
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else {
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basic[name_1] = db_1.Table.ofUndefinedColumns(exports.BasicSchema[name_1], 0);
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}
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}
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return basic;
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}
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exports.createBasic = createBasic;
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//# sourceMappingURL=schema.js.map
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"use strict";
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/**
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* Copyright (c) 2018-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
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*
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* @author David Sehnal <david.sehnal@gmail.com>
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* @author Alexander Rose <alexander.rose@weirdbyte.de>
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*/
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Object.defineProperty(exports, "__esModule", { value: true });
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exports.getSequence = void 0;
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var sequence_1 = require("../../../mol-model/structure/model/properties/sequence");
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var db_1 = require("../../../mol-data/db");
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var sequence_2 = require("../../../mol-model/sequence");
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13
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function getSequence(data, entities, atomicHierarchy, coarseHierarchy) {
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14
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if (!data.entity_poly_seq || !data.entity_poly_seq._rowCount) {
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return sequence_1.StructureSequence.fromHierarchy(entities, atomicHierarchy, coarseHierarchy);
|
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}
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var _a = data.entity_poly_seq, entity_id = _a.entity_id, num = _a.num, mon_id = _a.mon_id;
|
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var byEntityKey = {};
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var sequences = [];
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var count = entity_id.rowCount;
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var i = 0;
|
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while (i < count) {
|
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|
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var start = i;
|
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|
-
while (i < count - 1 && entity_id.areValuesEqual(i, i + 1))
|
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i++;
|
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|
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i++;
|
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|
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var id = entity_id.value(start);
|
|
28
|
-
var compId = db_1.Column.window(mon_id, start, i);
|
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29
|
-
var seqId = db_1.Column.window(num, start, i);
|
|
30
|
-
var entityKey = entities.getEntityIndex(id);
|
|
31
|
-
byEntityKey[entityKey] = {
|
|
32
|
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entityId: id,
|
|
33
|
-
sequence: sequence_2.Sequence.ofResidueNames(compId, seqId)
|
|
34
|
-
};
|
|
35
|
-
sequences.push(byEntityKey[entityKey]);
|
|
36
|
-
}
|
|
37
|
-
return { byEntityKey: byEntityKey, sequences: sequences };
|
|
38
|
-
}
|
|
39
|
-
exports.getSequence = getSequence;
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//# sourceMappingURL=sequence.js.map
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|
@@ -1,13 +0,0 @@
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1
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/**
|
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2
|
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* Copyright (c) 2018 mol* contributors, licensed under MIT, See LICENSE file for more info.
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|
3
|
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*
|
|
4
|
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* @author David Sehnal <david.sehnal@gmail.com>
|
|
5
|
-
*/
|
|
6
|
-
import { Column } from '../../../mol-data/db';
|
|
7
|
-
import { RuntimeContext } from '../../../mol-task';
|
|
8
|
-
import { AtomSite } from './schema';
|
|
9
|
-
export declare type SortedAtomSite = {
|
|
10
|
-
atom_site: AtomSite;
|
|
11
|
-
sourceIndex: Column<number>;
|
|
12
|
-
};
|
|
13
|
-
export declare function sortAtomSite(ctx: RuntimeContext, atom_site: AtomSite, start: number, end: number): Promise<SortedAtomSite>;
|
|
@@ -1,72 +0,0 @@
|
|
|
1
|
-
"use strict";
|
|
2
|
-
/**
|
|
3
|
-
* Copyright (c) 2018 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
4
|
-
*
|
|
5
|
-
* @author David Sehnal <david.sehnal@gmail.com>
|
|
6
|
-
*/
|
|
7
|
-
Object.defineProperty(exports, "__esModule", { value: true });
|
|
8
|
-
exports.sortAtomSite = void 0;
|
|
9
|
-
var tslib_1 = require("tslib");
|
|
10
|
-
var util_1 = require("../../../mol-data/util");
|
|
11
|
-
var db_1 = require("../../../mol-data/db");
|
|
12
|
-
var array_1 = require("../../../mol-util/array");
|
|
13
|
-
function sortAtomSite(ctx, atom_site, start, end) {
|
|
14
|
-
return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
|
|
15
|
-
var indices, label_entity_id, label_asym_id, label_seq_id, entityBuckets, ei, _eI, chainBuckets, cI, _cI, aI;
|
|
16
|
-
return (0, tslib_1.__generator)(this, function (_a) {
|
|
17
|
-
switch (_a.label) {
|
|
18
|
-
case 0:
|
|
19
|
-
indices = (0, util_1.createRangeArray)(start, end - 1);
|
|
20
|
-
label_entity_id = atom_site.label_entity_id, label_asym_id = atom_site.label_asym_id, label_seq_id = atom_site.label_seq_id;
|
|
21
|
-
entityBuckets = (0, util_1.makeBuckets)(indices, label_entity_id.value);
|
|
22
|
-
if (!ctx.shouldUpdate) return [3 /*break*/, 2];
|
|
23
|
-
return [4 /*yield*/, ctx.update()];
|
|
24
|
-
case 1:
|
|
25
|
-
_a.sent();
|
|
26
|
-
_a.label = 2;
|
|
27
|
-
case 2:
|
|
28
|
-
ei = 0, _eI = entityBuckets.length - 1;
|
|
29
|
-
_a.label = 3;
|
|
30
|
-
case 3:
|
|
31
|
-
if (!(ei < _eI)) return [3 /*break*/, 10];
|
|
32
|
-
chainBuckets = (0, util_1.makeBuckets)(indices, label_asym_id.value, { start: entityBuckets[ei], end: entityBuckets[ei + 1] });
|
|
33
|
-
cI = 0, _cI = chainBuckets.length - 1;
|
|
34
|
-
_a.label = 4;
|
|
35
|
-
case 4:
|
|
36
|
-
if (!(cI < _cI)) return [3 /*break*/, 7];
|
|
37
|
-
aI = chainBuckets[cI];
|
|
38
|
-
// are we in HETATM territory?
|
|
39
|
-
if (label_seq_id.valueKind(aI) !== 0 /* Present */)
|
|
40
|
-
return [3 /*break*/, 6];
|
|
41
|
-
(0, util_1.makeBuckets)(indices, label_seq_id.value, { sort: true, start: aI, end: chainBuckets[cI + 1] });
|
|
42
|
-
if (!ctx.shouldUpdate) return [3 /*break*/, 6];
|
|
43
|
-
return [4 /*yield*/, ctx.update()];
|
|
44
|
-
case 5:
|
|
45
|
-
_a.sent();
|
|
46
|
-
_a.label = 6;
|
|
47
|
-
case 6:
|
|
48
|
-
cI++;
|
|
49
|
-
return [3 /*break*/, 4];
|
|
50
|
-
case 7:
|
|
51
|
-
if (!ctx.shouldUpdate) return [3 /*break*/, 9];
|
|
52
|
-
return [4 /*yield*/, ctx.update()];
|
|
53
|
-
case 8:
|
|
54
|
-
_a.sent();
|
|
55
|
-
_a.label = 9;
|
|
56
|
-
case 9:
|
|
57
|
-
ei++;
|
|
58
|
-
return [3 /*break*/, 3];
|
|
59
|
-
case 10:
|
|
60
|
-
if ((0, array_1.arrayIsIdentity)(indices) && indices.length === atom_site._rowCount) {
|
|
61
|
-
return [2 /*return*/, { atom_site: atom_site, sourceIndex: db_1.Column.ofIntArray(indices) }];
|
|
62
|
-
}
|
|
63
|
-
return [2 /*return*/, {
|
|
64
|
-
atom_site: db_1.Table.view(atom_site, atom_site._schema, indices),
|
|
65
|
-
sourceIndex: db_1.Column.ofIntArray(indices)
|
|
66
|
-
}];
|
|
67
|
-
}
|
|
68
|
-
});
|
|
69
|
-
});
|
|
70
|
-
}
|
|
71
|
-
exports.sortAtomSite = sortAtomSite;
|
|
72
|
-
//# sourceMappingURL=sort.js.map
|
|
@@ -1,8 +0,0 @@
|
|
|
1
|
-
/**
|
|
2
|
-
* Copyright (c) 2017-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
3
|
-
*
|
|
4
|
-
* @author David Sehnal <david.sehnal@gmail.com>
|
|
5
|
-
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
6
|
-
*/
|
|
7
|
-
import { BasicData } from './schema';
|
|
8
|
-
export declare function getModelGroupName(model_id: number, data: BasicData): string;
|
|
@@ -1,22 +0,0 @@
|
|
|
1
|
-
"use strict";
|
|
2
|
-
/**
|
|
3
|
-
* Copyright (c) 2017-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
4
|
-
*
|
|
5
|
-
* @author David Sehnal <david.sehnal@gmail.com>
|
|
6
|
-
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
7
|
-
*/
|
|
8
|
-
Object.defineProperty(exports, "__esModule", { value: true });
|
|
9
|
-
exports.getModelGroupName = void 0;
|
|
10
|
-
var db_1 = require("../../../mol-data/db");
|
|
11
|
-
function getModelGroupName(model_id, data) {
|
|
12
|
-
var ihm_model_group = data.ihm_model_group, ihm_model_group_link = data.ihm_model_group_link;
|
|
13
|
-
var link = db_1.Table.pickRow(ihm_model_group_link, function (i) { return ihm_model_group_link.model_id.value(i) === model_id; });
|
|
14
|
-
if (link) {
|
|
15
|
-
var group = db_1.Table.pickRow(ihm_model_group, function (i) { return ihm_model_group.id.value(i) === link.group_id; });
|
|
16
|
-
if (group)
|
|
17
|
-
return group.name;
|
|
18
|
-
}
|
|
19
|
-
return '';
|
|
20
|
-
}
|
|
21
|
-
exports.getModelGroupName = getModelGroupName;
|
|
22
|
-
//# sourceMappingURL=util.js.map
|