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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exports.CartoonRepresentationProvider = exports.CartoonRepresentation = exports.getCartoonParams = exports.CartoonParams = void 0;
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var tslib_1 = require("tslib");
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var structure_1 = require("../../../mol-model/structure");
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var representation_1 = require("../../../mol-repr/representation");
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var param_definition_1 = require("../../../mol-util/param-definition");
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var representation_2 = require("../representation");
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var units_representation_1 = require("../units-representation");
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var nucleotide_block_mesh_1 = require("../visual/nucleotide-block-mesh");
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var nucleotide_ring_mesh_1 = require("../visual/nucleotide-ring-mesh");
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var polymer_direction_wedge_1 = require("../visual/polymer-direction-wedge");
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var polymer_gap_cylinder_1 = require("../visual/polymer-gap-cylinder");
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var polymer_trace_mesh_1 = require("../visual/polymer-trace-mesh");
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var secondary_structure_1 = require("../../../mol-model-props/computed/secondary-structure");
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var helix_orientation_1 = require("../../../mol-model-props/computed/helix-orientation");
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var base_1 = require("../../../mol-geo/geometry/base");
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var CartoonVisuals = {
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'polymer-trace': function (ctx, getParams) { return (0, units_representation_1.UnitsRepresentation)('Polymer trace mesh', ctx, getParams, polymer_trace_mesh_1.PolymerTraceVisual); },
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'polymer-gap': function (ctx, getParams) { return (0, units_representation_1.UnitsRepresentation)('Polymer gap cylinder', ctx, getParams, polymer_gap_cylinder_1.PolymerGapVisual); },
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'nucleotide-block': function (ctx, getParams) { return (0, units_representation_1.UnitsRepresentation)('Nucleotide block mesh', ctx, getParams, nucleotide_block_mesh_1.NucleotideBlockVisual); },
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'nucleotide-ring': function (ctx, getParams) { return (0, units_representation_1.UnitsRepresentation)('Nucleotide ring mesh', ctx, getParams, nucleotide_ring_mesh_1.NucleotideRingVisual); },
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'direction-wedge': function (ctx, getParams) { return (0, units_representation_1.UnitsRepresentation)('Polymer direction wedge', ctx, getParams, polymer_direction_wedge_1.PolymerDirectionVisual); }
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};
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exports.CartoonParams = (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, polymer_trace_mesh_1.PolymerTraceParams), polymer_gap_cylinder_1.PolymerGapParams), nucleotide_block_mesh_1.NucleotideBlockParams), nucleotide_ring_mesh_1.NucleotideRingParams), polymer_direction_wedge_1.PolymerDirectionParams), { sizeFactor: param_definition_1.ParamDefinition.Numeric(0.2, { min: 0, max: 10, step: 0.01 }), visuals: param_definition_1.ParamDefinition.MultiSelect(['polymer-trace', 'polymer-gap', 'nucleotide-block'], param_definition_1.ParamDefinition.objectToOptions(CartoonVisuals)), bumpFrequency: param_definition_1.ParamDefinition.Numeric(2, { min: 0, max: 10, step: 0.1 }, base_1.BaseGeometry.ShadingCategory) });
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function getCartoonParams(ctx, structure) {
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var params = param_definition_1.ParamDefinition.clone(exports.CartoonParams);
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var hasNucleotides = false;
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hasNucleotides = true;
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params.visuals.defaultValue = ['polymer-trace'];
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params.visuals.defaultValue.push('nucleotide-block');
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params.visuals.defaultValue.push('polymer-gap');
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return params;
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}
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exports.getCartoonParams = getCartoonParams;
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function CartoonRepresentation(ctx, getParams) {
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return representation_1.Representation.createMulti('Cartoon', ctx, getParams, representation_2.StructureRepresentationStateBuilder, CartoonVisuals);
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exports.CartoonRepresentation = CartoonRepresentation;
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exports.CartoonRepresentationProvider = (0, representation_2.StructureRepresentationProvider)({
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name: 'cartoon',
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label: 'Cartoon',
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description: 'Displays ribbons, planks, tubes smoothly following the trace atoms of polymers.',
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factory: CartoonRepresentation,
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getParams: getCartoonParams,
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defaultValues: param_definition_1.ParamDefinition.getDefaultValues(exports.CartoonParams),
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defaultColorTheme: { name: 'chain-id' },
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defaultSizeTheme: { name: 'uniform' },
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isApplicable: function (structure) { return structure.polymerResidueCount > 0; },
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ensureCustomProperties: {
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attach: function (ctx, structure) { return (0, tslib_1.__awaiter)(void 0, void 0, void 0, function () {
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return (0, tslib_1.__generator)(this, function (_b) {
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case 0: return [4 /*yield*/, secondary_structure_1.SecondaryStructureProvider.attach(ctx, structure, void 0, true)];
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case 1:
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case 2:
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if (!(_i < _a.length)) return [3 /*break*/, 5];
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m = _a[_i];
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return [4 /*yield*/, helix_orientation_1.HelixOrientationProvider.attach(ctx, m, void 0, true)];
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case 3:
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_b.sent();
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_b.label = 4;
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case 4:
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_i++;
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return [3 /*break*/, 2];
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case 5: return [2 /*return*/];
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}
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});
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}); },
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detach: function (data) {
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secondary_structure_1.SecondaryStructureProvider.ref(data, false);
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for (var _i = 0, _a = data.models; _i < _a.length; _i++) {
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var m = _a[_i];
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helix_orientation_1.HelixOrientationProvider.ref(m, false);
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}
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}
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}
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});
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//# sourceMappingURL=cartoon.js.map
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@@ -1,50 +0,0 @@
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"use strict";
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/**
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* Copyright (c) 2019-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
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*
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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.EllipsoidRepresentationProvider = exports.EllipsoidRepresentation = exports.getEllipsoidParams = exports.EllipsoidParams = void 0;
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var tslib_1 = require("tslib");
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var param_definition_1 = require("../../../mol-util/param-definition");
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var representation_1 = require("../../../mol-repr/representation");
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var representation_2 = require("../../../mol-repr/structure/representation");
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var ellipsoid_mesh_1 = require("../visual/ellipsoid-mesh");
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var anisotropic_1 = require("../../../mol-model-formats/structure/property/anisotropic");
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var bond_intra_unit_cylinder_1 = require("../visual/bond-intra-unit-cylinder");
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var bond_inter_unit_cylinder_1 = require("../visual/bond-inter-unit-cylinder");
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var params_1 = require("../params");
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var base_1 = require("../../../mol-geo/geometry/base");
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var EllipsoidVisuals = {
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'ellipsoid-mesh': function (ctx, getParams) { return (0, representation_2.UnitsRepresentation)('Ellipsoid Mesh', ctx, getParams, ellipsoid_mesh_1.EllipsoidMeshVisual); },
|
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'intra-bond': function (ctx, getParams) { return (0, representation_2.UnitsRepresentation)('Intra-unit bond cylinder', ctx, getParams, bond_intra_unit_cylinder_1.IntraUnitBondCylinderVisual); },
|
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|
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'inter-bond': function (ctx, getParams) { return (0, representation_2.ComplexRepresentation)('Inter-unit bond cylinder', ctx, getParams, bond_inter_unit_cylinder_1.InterUnitBondCylinderVisual); },
|
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|
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};
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exports.EllipsoidParams = (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, ellipsoid_mesh_1.EllipsoidMeshParams), bond_intra_unit_cylinder_1.IntraUnitBondCylinderParams), bond_inter_unit_cylinder_1.InterUnitBondCylinderParams), { includeParent: param_definition_1.ParamDefinition.Boolean(false), adjustCylinderLength: param_definition_1.ParamDefinition.Boolean(false, { isHidden: true }), unitKinds: (0, params_1.getUnitKindsParam)(['atomic']), sizeFactor: param_definition_1.ParamDefinition.Numeric(1, { min: 0.01, max: 10, step: 0.01 }), sizeAspectRatio: param_definition_1.ParamDefinition.Numeric(0.1, { min: 0.01, max: 3, step: 0.01 }), linkCap: param_definition_1.ParamDefinition.Boolean(true), visuals: param_definition_1.ParamDefinition.MultiSelect(['ellipsoid-mesh', 'intra-bond', 'inter-bond'], param_definition_1.ParamDefinition.objectToOptions(EllipsoidVisuals)), bumpFrequency: param_definition_1.ParamDefinition.Numeric(0, { min: 0, max: 10, step: 0.1 }, base_1.BaseGeometry.ShadingCategory) });
|
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|
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function getEllipsoidParams(ctx, structure) {
|
|
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|
-
return param_definition_1.ParamDefinition.clone(exports.EllipsoidParams);
|
|
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|
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}
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|
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exports.getEllipsoidParams = getEllipsoidParams;
|
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|
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function EllipsoidRepresentation(ctx, getParams) {
|
|
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|
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return representation_1.Representation.createMulti('Ellipsoid', ctx, getParams, representation_2.StructureRepresentationStateBuilder, EllipsoidVisuals);
|
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|
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}
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exports.EllipsoidRepresentation = EllipsoidRepresentation;
|
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|
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exports.EllipsoidRepresentationProvider = (0, representation_2.StructureRepresentationProvider)({
|
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|
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name: 'ellipsoid',
|
|
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|
-
label: 'Ellipsoid',
|
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|
-
description: 'Displays anisotropic displacement ellipsoids of atomic elements plus bonds as cylinders.',
|
|
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|
-
factory: EllipsoidRepresentation,
|
|
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|
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getParams: getEllipsoidParams,
|
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|
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defaultValues: param_definition_1.ParamDefinition.getDefaultValues(exports.EllipsoidParams),
|
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|
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defaultColorTheme: { name: 'element-symbol' },
|
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|
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defaultSizeTheme: { name: 'uniform' },
|
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|
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isApplicable: function (structure) { return structure.elementCount > 0 && structure.models.some(function (m) { return anisotropic_1.AtomSiteAnisotrop.Provider.isApplicable(m); }); },
|
|
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|
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getData: function (structure, props) {
|
|
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|
-
return props.includeParent ? structure.asParent() : structure;
|
|
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|
-
},
|
|
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|
-
mustRecreate: function (oldProps, newProps) {
|
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|
-
return oldProps.includeParent !== newProps.includeParent;
|
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|
-
}
|
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|
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});
|
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//# sourceMappingURL=ellipsoid.js.map
|
|
@@ -1,42 +0,0 @@
|
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|
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"use strict";
|
|
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|
-
/**
|
|
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|
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* Copyright (c) 2018-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
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|
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*
|
|
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|
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* @author Alexander Rose <alexander.rose@weirdbyte.de>
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|
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*/
|
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|
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Object.defineProperty(exports, "__esModule", { value: true });
|
|
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|
-
exports.GaussianSurfaceRepresentationProvider = exports.GaussianSurfaceRepresentation = exports.getGaussianSurfaceParams = exports.GaussianSurfaceParams = void 0;
|
|
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|
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var tslib_1 = require("tslib");
|
|
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|
-
var gaussian_surface_mesh_1 = require("../visual/gaussian-surface-mesh");
|
|
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|
-
var units_representation_1 = require("../units-representation");
|
|
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|
-
var gaussian_surface_wireframe_1 = require("../visual/gaussian-surface-wireframe");
|
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|
-
var param_definition_1 = require("../../../mol-util/param-definition");
|
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|
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var representation_1 = require("../representation");
|
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|
-
var representation_2 = require("../../../mol-repr/representation");
|
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|
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var base_1 = require("../../../mol-geo/geometry/base");
|
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|
-
var GaussianSurfaceVisuals = {
|
|
18
|
-
'gaussian-surface-mesh': function (ctx, getParams) { return (0, units_representation_1.UnitsRepresentation)('Gaussian surface mesh', ctx, getParams, gaussian_surface_mesh_1.GaussianSurfaceVisual); },
|
|
19
|
-
'structure-gaussian-surface-mesh': function (ctx, getParams) { return (0, representation_1.ComplexRepresentation)('Structure-Gaussian surface mesh', ctx, getParams, gaussian_surface_mesh_1.StructureGaussianSurfaceVisual); },
|
|
20
|
-
'gaussian-surface-wireframe': function (ctx, getParams) { return (0, units_representation_1.UnitsRepresentation)('Gaussian surface wireframe', ctx, getParams, gaussian_surface_wireframe_1.GaussianWireframeVisual); },
|
|
21
|
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};
|
|
22
|
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exports.GaussianSurfaceParams = (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, gaussian_surface_mesh_1.GaussianSurfaceMeshParams), gaussian_surface_wireframe_1.GaussianWireframeParams), { visuals: param_definition_1.ParamDefinition.MultiSelect(['gaussian-surface-mesh'], param_definition_1.ParamDefinition.objectToOptions(GaussianSurfaceVisuals)), bumpFrequency: param_definition_1.ParamDefinition.Numeric(1, { min: 0, max: 10, step: 0.1 }, base_1.BaseGeometry.ShadingCategory) });
|
|
23
|
-
function getGaussianSurfaceParams(ctx, structure) {
|
|
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|
-
return param_definition_1.ParamDefinition.clone(exports.GaussianSurfaceParams);
|
|
25
|
-
}
|
|
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|
-
exports.getGaussianSurfaceParams = getGaussianSurfaceParams;
|
|
27
|
-
function GaussianSurfaceRepresentation(ctx, getParams) {
|
|
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|
-
return representation_2.Representation.createMulti('Gaussian Surface', ctx, getParams, representation_1.StructureRepresentationStateBuilder, GaussianSurfaceVisuals);
|
|
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|
-
}
|
|
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|
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exports.GaussianSurfaceRepresentation = GaussianSurfaceRepresentation;
|
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|
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exports.GaussianSurfaceRepresentationProvider = (0, representation_1.StructureRepresentationProvider)({
|
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|
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name: 'gaussian-surface',
|
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|
-
label: 'Gaussian Surface',
|
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|
-
description: 'Displays a gaussian molecular surface.',
|
|
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|
-
factory: GaussianSurfaceRepresentation,
|
|
36
|
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getParams: getGaussianSurfaceParams,
|
|
37
|
-
defaultValues: param_definition_1.ParamDefinition.getDefaultValues(exports.GaussianSurfaceParams),
|
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|
-
defaultColorTheme: { name: 'chain-id' },
|
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|
-
defaultSizeTheme: { name: 'physical' },
|
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|
-
isApplicable: function (structure) { return structure.elementCount > 0; }
|
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|
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});
|
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//# sourceMappingURL=gaussian-surface.js.map
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@@ -1,40 +0,0 @@
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"use strict";
|
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|
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/**
|
|
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|
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* Copyright (c) 2018-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
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|
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*
|
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|
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* @author Alexander Rose <alexander.rose@weirdbyte.de>
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|
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*/
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|
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Object.defineProperty(exports, "__esModule", { value: true });
|
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|
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exports.GaussianVolumeRepresentationProvider = exports.GaussianVolumeRepresentation = exports.getGaussianVolumeParams = exports.GaussianVolumeParams = void 0;
|
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|
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var tslib_1 = require("tslib");
|
|
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|
-
var param_definition_1 = require("../../../mol-util/param-definition");
|
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|
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var gaussian_density_volume_1 = require("../visual/gaussian-density-volume");
|
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|
-
var representation_1 = require("../representation");
|
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|
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var representation_2 = require("../../../mol-repr/representation");
|
|
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|
-
var GaussianVolumeVisuals = {
|
|
15
|
-
'gaussian-volume': function (ctx, getParams) { return (0, representation_1.ComplexRepresentation)('Gaussian volume', ctx, getParams, gaussian_density_volume_1.GaussianDensityVolumeVisual); },
|
|
16
|
-
'units-gaussian-volume': function (ctx, getParams) { return (0, representation_1.UnitsRepresentation)('Units-Gaussian volume', ctx, getParams, gaussian_density_volume_1.UnitsGaussianDensityVolumeVisual); }
|
|
17
|
-
};
|
|
18
|
-
exports.GaussianVolumeParams = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, gaussian_density_volume_1.GaussianDensityVolumeParams), { visuals: param_definition_1.ParamDefinition.MultiSelect(['gaussian-volume'], param_definition_1.ParamDefinition.objectToOptions(GaussianVolumeVisuals)) });
|
|
19
|
-
function getGaussianVolumeParams(ctx, structure) {
|
|
20
|
-
var p = param_definition_1.ParamDefinition.clone(exports.GaussianVolumeParams);
|
|
21
|
-
p.jumpLength = param_definition_1.ParamDefinition.Numeric(4, { min: 0, max: 20, step: 0.1 });
|
|
22
|
-
return p;
|
|
23
|
-
}
|
|
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|
-
exports.getGaussianVolumeParams = getGaussianVolumeParams;
|
|
25
|
-
function GaussianVolumeRepresentation(ctx, getParams) {
|
|
26
|
-
return representation_2.Representation.createMulti('Gaussian Volume', ctx, getParams, representation_1.StructureRepresentationStateBuilder, GaussianVolumeVisuals);
|
|
27
|
-
}
|
|
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|
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exports.GaussianVolumeRepresentation = GaussianVolumeRepresentation;
|
|
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|
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exports.GaussianVolumeRepresentationProvider = (0, representation_1.StructureRepresentationProvider)({
|
|
30
|
-
name: 'gaussian-volume',
|
|
31
|
-
label: 'Gaussian Volume',
|
|
32
|
-
description: 'Displays a gaussian molecular density using direct volume rendering.',
|
|
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|
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factory: GaussianVolumeRepresentation,
|
|
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|
-
getParams: getGaussianVolumeParams,
|
|
35
|
-
defaultValues: param_definition_1.ParamDefinition.getDefaultValues(exports.GaussianVolumeParams),
|
|
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|
-
defaultColorTheme: { name: 'chain-id' },
|
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|
-
defaultSizeTheme: { name: 'physical' },
|
|
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|
-
isApplicable: function (structure) { return structure.elementCount > 0; }
|
|
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|
-
});
|
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|
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//# sourceMappingURL=gaussian-volume.js.map
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|
@@ -1,40 +0,0 @@
|
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"use strict";
|
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|
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/**
|
|
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|
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* Copyright (c) 2019 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
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var param_definition_1 = require("../../../mol-util/param-definition");
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var representation_1 = require("../representation");
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var representation_2 = require("../../../mol-repr/representation");
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var label_text_1 = require("../visual/label-text");
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var marker_action_1 = require("../../../mol-util/marker-action");
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var LabelVisuals = {
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'label-text': function (ctx, getParams) { return (0, representation_1.ComplexRepresentation)('Label text', ctx, getParams, label_text_1.LabelTextVisual); },
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};
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exports.LabelParams = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, label_text_1.LabelTextParams), { visuals: param_definition_1.ParamDefinition.MultiSelect(['label-text'], param_definition_1.ParamDefinition.objectToOptions(LabelVisuals)) });
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function getLabelParams(ctx, structure) {
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exports.getLabelParams = getLabelParams;
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function LabelRepresentation(ctx, getParams) {
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exports.LabelRepresentation = LabelRepresentation;
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exports.LabelRepresentationProvider = (0, representation_1.StructureRepresentationProvider)({
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description: 'Displays labels.',
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getParams: getLabelParams,
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defaultColorTheme: { name: 'uniform' },
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defaultSizeTheme: { name: 'physical' },
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isApplicable: function (structure) { return structure.elementCount > 0; }
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});
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Object.defineProperty(exports, "__esModule", { value: true });
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exports.LineRepresentationProvider = exports.LineRepresentation = exports.getLineParams = exports.LineParams = void 0;
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var tslib_1 = require("tslib");
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var bond_intra_unit_line_1 = require("../visual/bond-intra-unit-line");
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var bond_inter_unit_line_1 = require("../visual/bond-inter-unit-line");
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var param_definition_1 = require("../../../mol-util/param-definition");
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var units_representation_1 = require("../units-representation");
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var complex_representation_1 = require("../complex-representation");
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var representation_1 = require("../representation");
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var representation_2 = require("../../../mol-repr/representation");
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var params_1 = require("../params");
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var element_point_1 = require("../visual/element-point");
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var element_cross_1 = require("../visual/element-cross");
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var LineVisuals = {
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'intra-bond': function (ctx, getParams) { return (0, units_representation_1.UnitsRepresentation)('Intra-unit bond line', ctx, getParams, bond_intra_unit_line_1.IntraUnitBondLineVisual); },
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'inter-bond': function (ctx, getParams) { return (0, complex_representation_1.ComplexRepresentation)('Inter-unit bond line', ctx, getParams, bond_inter_unit_line_1.InterUnitBondLineVisual); },
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'element-point': function (ctx, getParams) { return (0, units_representation_1.UnitsRepresentation)('Points', ctx, getParams, element_point_1.ElementPointVisual); },
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'element-cross': function (ctx, getParams) { return (0, units_representation_1.UnitsRepresentation)('Crosses', ctx, getParams, element_cross_1.ElementCrossVisual); },
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};
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exports.LineParams = (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, bond_intra_unit_line_1.IntraUnitBondLineParams), bond_inter_unit_line_1.InterUnitBondLineParams), element_point_1.ElementPointParams), element_cross_1.ElementCrossParams), { multipleBonds: param_definition_1.ParamDefinition.Select('offset', param_definition_1.ParamDefinition.arrayToOptions(['off', 'symmetric', 'offset'])), includeParent: param_definition_1.ParamDefinition.Boolean(false), sizeFactor: param_definition_1.ParamDefinition.Numeric(3, { min: 0.01, max: 10, step: 0.01 }), unitKinds: (0, params_1.getUnitKindsParam)(['atomic']), visuals: param_definition_1.ParamDefinition.MultiSelect(['intra-bond', 'inter-bond', 'element-point', 'element-cross'], param_definition_1.ParamDefinition.objectToOptions(LineVisuals)) });
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function getLineParams(ctx, structure) {
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var params = param_definition_1.ParamDefinition.clone(exports.LineParams);
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params.pointStyle.defaultValue = 'circle';
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return params;
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}
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exports.getLineParams = getLineParams;
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function LineRepresentation(ctx, getParams) {
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return representation_2.Representation.createMulti('Line', ctx, getParams, representation_1.StructureRepresentationStateBuilder, LineVisuals);
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}
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exports.LineRepresentation = LineRepresentation;
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exports.LineRepresentationProvider = (0, representation_1.StructureRepresentationProvider)({
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name: 'line',
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label: 'Line',
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description: 'Displays bonds as lines and atoms as points or croses.',
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factory: LineRepresentation,
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getParams: getLineParams,
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defaultValues: param_definition_1.ParamDefinition.getDefaultValues(exports.LineParams),
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defaultColorTheme: { name: 'element-symbol' },
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defaultSizeTheme: { name: 'uniform' },
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isApplicable: function (structure) { return structure.elementCount > 0; },
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getData: function (structure, props) {
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return props.includeParent ? structure.asParent() : structure;
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},
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mustRecreate: function (oldProps, newProps) {
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return oldProps.includeParent !== newProps.includeParent;
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}
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* Copyright (c) 2018-2019 mol* contributors, licensed under MIT, See LICENSE file for more info.
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*
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* @author Alexander Rose <alexander.rose@weirdbyte.de>
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Object.defineProperty(exports, "__esModule", { value: true });
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exports.MolecularSurfaceRepresentationProvider = exports.MolecularSurfaceRepresentation = exports.getMolecularSurfaceParams = exports.MolecularSurfaceParams = void 0;
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var tslib_1 = require("tslib");
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var molecular_surface_mesh_1 = require("../visual/molecular-surface-mesh");
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var units_representation_1 = require("../units-representation");
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var param_definition_1 = require("../../../mol-util/param-definition");
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var representation_1 = require("../representation");
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var representation_2 = require("../../../mol-repr/representation");
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var molecular_surface_wireframe_1 = require("../visual/molecular-surface-wireframe");
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var base_1 = require("../../../mol-geo/geometry/base");
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var MolecularSurfaceVisuals = {
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'molecular-surface-mesh': function (ctx, getParams) { return (0, units_representation_1.UnitsRepresentation)('Molecular surface mesh', ctx, getParams, molecular_surface_mesh_1.MolecularSurfaceMeshVisual); },
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'molecular-surface-wireframe': function (ctx, getParams) { return (0, units_representation_1.UnitsRepresentation)('Molecular surface wireframe', ctx, getParams, molecular_surface_wireframe_1.MolecularSurfaceWireframeVisual); },
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};
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exports.MolecularSurfaceParams = (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, molecular_surface_mesh_1.MolecularSurfaceMeshParams), molecular_surface_wireframe_1.MolecularSurfaceWireframeParams), { visuals: param_definition_1.ParamDefinition.MultiSelect(['molecular-surface-mesh'], param_definition_1.ParamDefinition.objectToOptions(MolecularSurfaceVisuals)), bumpFrequency: param_definition_1.ParamDefinition.Numeric(1, { min: 0, max: 10, step: 0.1 }, base_1.BaseGeometry.ShadingCategory) });
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function getMolecularSurfaceParams(ctx, structure) {
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return param_definition_1.ParamDefinition.clone(exports.MolecularSurfaceParams);
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}
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exports.getMolecularSurfaceParams = getMolecularSurfaceParams;
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function MolecularSurfaceRepresentation(ctx, getParams) {
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return representation_2.Representation.createMulti('Molecular Surface', ctx, getParams, representation_1.StructureRepresentationStateBuilder, MolecularSurfaceVisuals);
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}
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exports.MolecularSurfaceRepresentation = MolecularSurfaceRepresentation;
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exports.MolecularSurfaceRepresentationProvider = (0, representation_1.StructureRepresentationProvider)({
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name: 'molecular-surface',
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label: 'Molecular Surface',
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description: 'Displays a molecular surface.',
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factory: MolecularSurfaceRepresentation,
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getParams: getMolecularSurfaceParams,
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defaultValues: param_definition_1.ParamDefinition.getDefaultValues(exports.MolecularSurfaceParams),
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defaultColorTheme: { name: 'chain-id' },
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defaultSizeTheme: { name: 'physical' },
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isApplicable: function (structure) { return structure.elementCount > 0; }
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});
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//# sourceMappingURL=molecular-surface.js.map
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"use strict";
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/**
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* Copyright (c) 2019 mol* contributors, licensed under MIT, See LICENSE file for more info.
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*
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* @author Alexander Rose <alexander.rose@weirdbyte.de>
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Object.defineProperty(exports, "__esModule", { value: true });
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exports.OrientationRepresentationProvider = exports.OrientationRepresentation = exports.getOrientationParams = exports.OrientationParams = void 0;
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var tslib_1 = require("tslib");
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var units_representation_1 = require("../units-representation");
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var param_definition_1 = require("../../../mol-util/param-definition");
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var representation_1 = require("../representation");
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var representation_2 = require("../../../mol-repr/representation");
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var orientation_ellipsoid_mesh_1 = require("../visual/orientation-ellipsoid-mesh");
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var base_1 = require("../../../mol-geo/geometry/base");
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var OrientationVisuals = {
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'orientation-ellipsoid-mesh': function (ctx, getParams) { return (0, units_representation_1.UnitsRepresentation)('Orientation ellipsoid mesh', ctx, getParams, orientation_ellipsoid_mesh_1.OrientationEllipsoidMeshVisual); },
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};
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exports.OrientationParams = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, orientation_ellipsoid_mesh_1.OrientationEllipsoidMeshParams), { visuals: param_definition_1.ParamDefinition.MultiSelect(['orientation-ellipsoid-mesh'], param_definition_1.ParamDefinition.objectToOptions(OrientationVisuals)), bumpFrequency: param_definition_1.ParamDefinition.Numeric(1, { min: 0, max: 10, step: 0.1 }, base_1.BaseGeometry.ShadingCategory) });
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function getOrientationParams(ctx, structure) {
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return param_definition_1.ParamDefinition.clone(exports.OrientationParams);
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}
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exports.getOrientationParams = getOrientationParams;
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function OrientationRepresentation(ctx, getParams) {
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return representation_2.Representation.createMulti('Orientation', ctx, getParams, representation_1.StructureRepresentationStateBuilder, OrientationVisuals);
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}
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exports.OrientationRepresentation = OrientationRepresentation;
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exports.OrientationRepresentationProvider = (0, representation_1.StructureRepresentationProvider)({
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name: 'orientation',
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label: 'Orientation',
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description: 'Displays orientation ellipsoids for polymer chains.',
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factory: OrientationRepresentation,
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getParams: getOrientationParams,
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defaultValues: param_definition_1.ParamDefinition.getDefaultValues(exports.OrientationParams),
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defaultColorTheme: { name: 'chain-id' },
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defaultSizeTheme: { name: 'uniform' },
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isApplicable: function (structure) { return structure.elementCount > 0; }
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});
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//# sourceMappingURL=orientation.js.map
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"use strict";
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/**
|
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* Copyright (c) 2018 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
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|
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*
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* @author Alexander Rose <alexander.rose@weirdbyte.de>
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|
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*/
|
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|
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Object.defineProperty(exports, "__esModule", { value: true });
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exports.PointRepresentationProvider = exports.PointRepresentation = exports.getPointParams = exports.PointParams = void 0;
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var tslib_1 = require("tslib");
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|
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var element_point_1 = require("../visual/element-point");
|
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var units_representation_1 = require("../units-representation");
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|
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var param_definition_1 = require("../../../mol-util/param-definition");
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var representation_1 = require("../representation");
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var representation_2 = require("../../../mol-repr/representation");
|
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|
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var PointVisuals = {
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|
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'element-point': function (ctx, getParams) { return (0, units_representation_1.UnitsRepresentation)('Points', ctx, getParams, element_point_1.ElementPointVisual); },
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|
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};
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exports.PointParams = (0, tslib_1.__assign)({}, element_point_1.ElementPointParams);
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function getPointParams(ctx, structure) {
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return param_definition_1.ParamDefinition.clone(exports.PointParams);
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}
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exports.getPointParams = getPointParams;
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|
-
function PointRepresentation(ctx, getParams) {
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return representation_2.Representation.createMulti('Point', ctx, getParams, representation_1.StructureRepresentationStateBuilder, PointVisuals);
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|
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}
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|
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exports.PointRepresentation = PointRepresentation;
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exports.PointRepresentationProvider = (0, representation_1.StructureRepresentationProvider)({
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name: 'point',
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label: 'Point',
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description: 'Displays elements (atoms, coarse spheres) as points.',
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factory: PointRepresentation,
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getParams: getPointParams,
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defaultValues: param_definition_1.ParamDefinition.getDefaultValues(exports.PointParams),
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defaultColorTheme: { name: 'element-symbol' },
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defaultSizeTheme: { name: 'uniform' },
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isApplicable: function (structure) { return structure.elementCount > 0; }
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});
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//# sourceMappingURL=point.js.map
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"use strict";
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|
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/**
|
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* Copyright (c) 2019-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
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*
|
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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.PuttyRepresentationProvider = exports.PuttyRepresentation = exports.getPuttyParams = exports.PuttyParams = void 0;
|
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var tslib_1 = require("tslib");
|
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|
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var polymer_tube_mesh_1 = require("../visual/polymer-tube-mesh");
|
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|
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var polymer_gap_cylinder_1 = require("../visual/polymer-gap-cylinder");
|
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|
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var param_definition_1 = require("../../../mol-util/param-definition");
|
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|
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var units_representation_1 = require("../units-representation");
|
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|
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var representation_1 = require("../representation");
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|
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var representation_2 = require("../../../mol-repr/representation");
|
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|
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var structure_1 = require("../../../mol-model/structure");
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|
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var base_1 = require("../../../mol-geo/geometry/base");
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|
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var PuttyVisuals = {
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|
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'polymer-tube': function (ctx, getParams) { return (0, units_representation_1.UnitsRepresentation)('Polymer tube mesh', ctx, getParams, polymer_tube_mesh_1.PolymerTubeVisual); },
|
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|
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'polymer-gap': function (ctx, getParams) { return (0, units_representation_1.UnitsRepresentation)('Polymer gap cylinder', ctx, getParams, polymer_gap_cylinder_1.PolymerGapVisual); },
|
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|
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};
|
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|
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exports.PuttyParams = (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, polymer_tube_mesh_1.PolymerTubeParams), polymer_gap_cylinder_1.PolymerGapParams), { sizeFactor: param_definition_1.ParamDefinition.Numeric(0.2, { min: 0, max: 10, step: 0.01 }), visuals: param_definition_1.ParamDefinition.MultiSelect(['polymer-tube', 'polymer-gap'], param_definition_1.ParamDefinition.objectToOptions(PuttyVisuals)), bumpFrequency: param_definition_1.ParamDefinition.Numeric(2, { min: 0, max: 10, step: 0.1 }, base_1.BaseGeometry.ShadingCategory) });
|
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|
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function getPuttyParams(ctx, structure) {
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|
-
var params = param_definition_1.ParamDefinition.clone(exports.PuttyParams);
|
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|
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var hasNucleotides = false;
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|
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var hasGaps = false;
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|
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structure.units.forEach(function (u) {
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if (!hasNucleotides && structure_1.Unit.isAtomic(u) && u.nucleotideElements.length)
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hasNucleotides = true;
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if (!hasGaps && u.gapElements.length)
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hasGaps = true;
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});
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params.visuals.defaultValue = ['polymer-tube'];
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if (hasGaps)
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params.visuals.defaultValue.push('polymer-gap');
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return params;
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}
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exports.getPuttyParams = getPuttyParams;
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function PuttyRepresentation(ctx, getParams) {
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return representation_2.Representation.createMulti('Putty', ctx, getParams, representation_1.StructureRepresentationStateBuilder, PuttyVisuals);
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}
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exports.PuttyRepresentation = PuttyRepresentation;
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exports.PuttyRepresentationProvider = (0, representation_1.StructureRepresentationProvider)({
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name: 'putty',
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label: 'Putty',
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description: 'Displays a tube smoothly following the trace atoms of polymers.',
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factory: PuttyRepresentation,
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getParams: getPuttyParams,
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defaultValues: param_definition_1.ParamDefinition.getDefaultValues(exports.PuttyParams),
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defaultColorTheme: { name: 'chain-id' },
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defaultSizeTheme: { name: 'uncertainty' },
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isApplicable: function (structure) { return structure.polymerResidueCount > 0; },
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});
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//# sourceMappingURL=putty.js.map
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@@ -1,43 +0,0 @@
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1
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-
"use strict";
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2
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/**
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3
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* Copyright (c) 2018-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
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4
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*
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5
|
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* @author Alexander Rose <alexander.rose@weirdbyte.de>
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*/
|
|
7
|
-
Object.defineProperty(exports, "__esModule", { value: true });
|
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8
|
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exports.SpacefillRepresentationProvider = exports.SpacefillRepresentation = exports.getSpacefillParams = exports.SpacefillParams = void 0;
|
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9
|
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var tslib_1 = require("tslib");
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var element_sphere_1 = require("../visual/element-sphere");
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var units_representation_1 = require("../units-representation");
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var param_definition_1 = require("../../../mol-util/param-definition");
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var representation_1 = require("../representation");
|
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var representation_2 = require("../../../mol-repr/representation");
|
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|
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var base_1 = require("../../../mol-geo/geometry/base");
|
|
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|
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var SpacefillVisuals = {
|
|
17
|
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'element-sphere': function (ctx, getParams) { return (0, units_representation_1.UnitsRepresentation)('Sphere mesh', ctx, getParams, element_sphere_1.ElementSphereVisual); },
|
|
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|
-
};
|
|
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|
-
exports.SpacefillParams = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, element_sphere_1.ElementSphereParams), { bumpFrequency: param_definition_1.ParamDefinition.Numeric(1, { min: 0, max: 10, step: 0.1 }, base_1.BaseGeometry.ShadingCategory) });
|
|
20
|
-
function getSpacefillParams(ctx, structure) {
|
|
21
|
-
var params = param_definition_1.ParamDefinition.clone(exports.SpacefillParams);
|
|
22
|
-
if (structure.isCoarseGrained) {
|
|
23
|
-
params.sizeFactor.defaultValue = 2;
|
|
24
|
-
}
|
|
25
|
-
return params;
|
|
26
|
-
}
|
|
27
|
-
exports.getSpacefillParams = getSpacefillParams;
|
|
28
|
-
function SpacefillRepresentation(ctx, getParams) {
|
|
29
|
-
return representation_2.Representation.createMulti('Spacefill', ctx, getParams, representation_1.StructureRepresentationStateBuilder, SpacefillVisuals);
|
|
30
|
-
}
|
|
31
|
-
exports.SpacefillRepresentation = SpacefillRepresentation;
|
|
32
|
-
exports.SpacefillRepresentationProvider = (0, representation_1.StructureRepresentationProvider)({
|
|
33
|
-
name: 'spacefill',
|
|
34
|
-
label: 'Spacefill',
|
|
35
|
-
description: 'Displays atomic/coarse elements as spheres.',
|
|
36
|
-
factory: SpacefillRepresentation,
|
|
37
|
-
getParams: getSpacefillParams,
|
|
38
|
-
defaultValues: param_definition_1.ParamDefinition.getDefaultValues(exports.SpacefillParams),
|
|
39
|
-
defaultColorTheme: { name: 'element-symbol' },
|
|
40
|
-
defaultSizeTheme: { name: 'physical' },
|
|
41
|
-
isApplicable: function (structure) { return structure.elementCount > 0; }
|
|
42
|
-
});
|
|
43
|
-
//# sourceMappingURL=spacefill.js.map
|
|
@@ -1,33 +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
|
-
* @author David Sehnal <david.sehnal@gmail.com>
|
|
7
|
-
*/
|
|
8
|
-
Object.defineProperty(exports, "__esModule", { value: true });
|
|
9
|
-
exports.UnitsVisual = exports.UnitsRepresentation = exports.ComplexVisual = exports.ComplexRepresentation = exports.StructureRepresentationProvider = exports.StructureRepresentationStateBuilder = void 0;
|
|
10
|
-
var tslib_1 = require("tslib");
|
|
11
|
-
var representation_1 = require("../representation");
|
|
12
|
-
exports.StructureRepresentationStateBuilder = {
|
|
13
|
-
create: function () {
|
|
14
|
-
return (0, tslib_1.__assign)((0, tslib_1.__assign)({}, representation_1.Representation.createState()), { unitTransforms: null, unitTransformsVersion: -1 });
|
|
15
|
-
},
|
|
16
|
-
update: function (state, update) {
|
|
17
|
-
representation_1.Representation.updateState(state, update);
|
|
18
|
-
if (update.unitTransforms !== undefined)
|
|
19
|
-
state.unitTransforms = update.unitTransforms;
|
|
20
|
-
}
|
|
21
|
-
};
|
|
22
|
-
function StructureRepresentationProvider(p) { return p; }
|
|
23
|
-
exports.StructureRepresentationProvider = StructureRepresentationProvider;
|
|
24
|
-
//
|
|
25
|
-
var complex_representation_1 = require("./complex-representation");
|
|
26
|
-
Object.defineProperty(exports, "ComplexRepresentation", { enumerable: true, get: function () { return complex_representation_1.ComplexRepresentation; } });
|
|
27
|
-
var complex_visual_1 = require("./complex-visual");
|
|
28
|
-
Object.defineProperty(exports, "ComplexVisual", { enumerable: true, get: function () { return complex_visual_1.ComplexVisual; } });
|
|
29
|
-
var units_representation_1 = require("./units-representation");
|
|
30
|
-
Object.defineProperty(exports, "UnitsRepresentation", { enumerable: true, get: function () { return units_representation_1.UnitsRepresentation; } });
|
|
31
|
-
var units_visual_1 = require("./units-visual");
|
|
32
|
-
Object.defineProperty(exports, "UnitsVisual", { enumerable: true, get: function () { return units_visual_1.UnitsVisual; } });
|
|
33
|
-
//# sourceMappingURL=representation.js.map
|