molstar 3.0.0-dev.6 → 3.0.0
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/README.md +7 -0
- package/build/viewer/index.html +4 -0
- package/build/viewer/molstar.js +1 -1
- package/lib/apps/viewer/app.d.ts +230 -0
- package/lib/apps/viewer/app.js +525 -0
- package/lib/apps/viewer/index.d.ts +2 -224
- package/lib/apps/viewer/index.html +4 -0
- package/lib/apps/viewer/index.js +2 -507
- package/lib/commonjs/apps/viewer/app.d.ts +230 -0
- package/lib/commonjs/apps/viewer/app.js +531 -0
- package/lib/commonjs/apps/viewer/index.d.ts +2 -224
- package/lib/commonjs/apps/viewer/index.js +2 -510
- package/lib/commonjs/examples/alpha-orbitals/index.js +1 -1
- package/lib/commonjs/examples/basic-wrapper/index.js +7 -3
- package/lib/commonjs/examples/proteopedia-wrapper/index.js +7 -1
- package/lib/commonjs/extensions/anvil/behavior.d.ts +4 -0
- package/lib/commonjs/extensions/anvil/representation.d.ts +50 -0
- package/lib/commonjs/extensions/anvil/representation.js +1 -1
- package/lib/commonjs/extensions/cellpack/representation.d.ts +10 -0
- package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.d.ts +30 -0
- package/lib/commonjs/extensions/geo-export/mesh-exporter.js +4 -4
- package/lib/commonjs/extensions/model-export/export.d.ts +9 -0
- package/lib/commonjs/extensions/model-export/export.js +129 -0
- package/lib/commonjs/extensions/model-export/index.d.ts +7 -0
- package/lib/commonjs/extensions/model-export/index.js +36 -0
- package/lib/commonjs/extensions/model-export/ui.d.ts +11 -0
- package/lib/commonjs/extensions/model-export/ui.js +77 -0
- package/lib/commonjs/extensions/mp4-export/encoder.js +1 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.d.ts +6 -2
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.d.ts +10 -0
- package/lib/commonjs/extensions/rcsb/graphql/types.d.ts +2 -2
- package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +50 -0
- package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +15 -13
- package/lib/commonjs/mol-canvas3d/canvas3d.js +34 -29
- package/lib/commonjs/mol-canvas3d/controls/trackball.d.ts +9 -4
- package/lib/commonjs/mol-canvas3d/controls/trackball.js +50 -11
- package/lib/commonjs/mol-canvas3d/helper/bounding-sphere-helper.js +3 -2
- package/lib/commonjs/mol-canvas3d/helper/camera-helper.d.ts +4 -0
- package/lib/commonjs/mol-canvas3d/helper/camera-helper.js +2 -2
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.d.ts +4 -0
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.js +2 -2
- package/lib/commonjs/mol-canvas3d/helper/helper.d.ts +2 -0
- package/lib/commonjs/mol-canvas3d/passes/draw.d.ts +13 -1
- package/lib/commonjs/mol-canvas3d/passes/draw.js +16 -15
- package/lib/commonjs/mol-canvas3d/passes/image.d.ts +1 -0
- package/lib/commonjs/mol-canvas3d/passes/image.js +3 -2
- package/lib/commonjs/mol-canvas3d/passes/marking.js +1 -1
- package/lib/commonjs/mol-canvas3d/passes/multi-sample.d.ts +9 -2
- package/lib/commonjs/mol-canvas3d/passes/multi-sample.js +14 -12
- package/lib/commonjs/mol-canvas3d/passes/pick.js +12 -12
- package/lib/commonjs/mol-canvas3d/passes/postprocessing.js +3 -3
- package/lib/commonjs/mol-canvas3d/passes/smaa.js +1 -1
- package/lib/commonjs/mol-geo/geometry/base.d.ts +18 -0
- package/lib/commonjs/mol-geo/geometry/base.js +18 -1
- package/lib/commonjs/mol-geo/geometry/clipping-data.d.ts +1 -3
- package/lib/commonjs/mol-geo/geometry/clipping-data.js +3 -8
- package/lib/commonjs/mol-geo/geometry/color-data.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/color-data.js +22 -0
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +10 -0
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.js +2 -2
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.d.ts +15 -38
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +21 -66
- package/lib/commonjs/mol-geo/geometry/direct-volume/transfer-function.d.ts +2 -4
- package/lib/commonjs/mol-geo/geometry/direct-volume/transfer-function.js +4 -7
- package/lib/commonjs/mol-geo/geometry/image/image.d.ts +10 -0
- package/lib/commonjs/mol-geo/geometry/image/image.js +1 -1
- package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +10 -0
- package/lib/commonjs/mol-geo/geometry/lines/lines.js +1 -1
- package/lib/commonjs/mol-geo/geometry/marker-data.d.ts +0 -1
- package/lib/commonjs/mol-geo/geometry/marker-data.js +13 -9
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.d.ts +10 -0
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +2 -2
- package/lib/commonjs/mol-geo/geometry/points/points.d.ts +10 -0
- package/lib/commonjs/mol-geo/geometry/points/points.js +1 -1
- package/lib/commonjs/mol-geo/geometry/size-data.js +5 -5
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +10 -0
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.js +2 -2
- package/lib/commonjs/mol-geo/geometry/text/text.d.ts +10 -0
- package/lib/commonjs/mol-geo/geometry/text/text.js +1 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +10 -0
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +2 -2
- package/lib/commonjs/mol-gl/compute/histogram-pyramid/sum.js +2 -2
- package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.d.ts +2 -2
- package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.js +10 -9
- package/lib/commonjs/mol-gl/render-object.d.ts +2 -1
- package/lib/commonjs/mol-gl/render-object.js +10 -10
- package/lib/commonjs/mol-gl/renderable/cylinders.d.ts +11 -5
- package/lib/commonjs/mol-gl/renderable/cylinders.js +3 -3
- package/lib/commonjs/mol-gl/renderable/direct-volume.d.ts +15 -14
- package/lib/commonjs/mol-gl/renderable/direct-volume.js +3 -3
- package/lib/commonjs/mol-gl/renderable/image.d.ts +10 -4
- package/lib/commonjs/mol-gl/renderable/image.js +2 -2
- package/lib/commonjs/mol-gl/renderable/lines.d.ts +39 -33
- package/lib/commonjs/mol-gl/renderable/lines.js +3 -3
- package/lib/commonjs/mol-gl/renderable/mesh.d.ts +11 -5
- package/lib/commonjs/mol-gl/renderable/mesh.js +3 -3
- package/lib/commonjs/mol-gl/renderable/points.d.ts +10 -4
- package/lib/commonjs/mol-gl/renderable/points.js +2 -2
- package/lib/commonjs/mol-gl/renderable/schema.d.ts +10 -11
- package/lib/commonjs/mol-gl/renderable/schema.js +4 -10
- package/lib/commonjs/mol-gl/renderable/spheres.d.ts +11 -5
- package/lib/commonjs/mol-gl/renderable/spheres.js +3 -3
- package/lib/commonjs/mol-gl/renderable/text.d.ts +10 -4
- package/lib/commonjs/mol-gl/renderable/text.js +2 -2
- package/lib/commonjs/mol-gl/renderable/texture-mesh.d.ts +11 -6
- package/lib/commonjs/mol-gl/renderable/texture-mesh.js +3 -3
- package/lib/commonjs/mol-gl/renderable.d.ts +0 -1
- package/lib/commonjs/mol-gl/renderer.d.ts +12 -12
- package/lib/commonjs/mol-gl/renderer.js +23 -92
- package/lib/commonjs/mol-gl/scene.d.ts +2 -2
- package/lib/commonjs/mol-gl/scene.js +7 -5
- package/lib/commonjs/mol-gl/shader/chunks/apply-light-color.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/apply-light-color.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-group.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-group.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-marker-varying.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-marker-varying.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-position.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-position.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-size.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-size.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/color-frag-params.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/color-frag-params.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/common-frag-params.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/common-frag-params.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/common-vert-params.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/common-vert-params.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/common.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/common.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/wboit-write.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/wboit-write.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.vert.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.vert.js +1 -1
- package/lib/commonjs/mol-gl/shader/cylinders.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/cylinders.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/direct-volume.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/direct-volume.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/gaussian-density.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/gaussian-density.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/histogram-pyramid/reduction.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/histogram-pyramid/reduction.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/image.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/image.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/marching-cubes/isosurface.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/marching-cubes/isosurface.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/mesh.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/mesh.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/mesh.vert.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/mesh.vert.js +1 -1
- package/lib/commonjs/mol-gl/shader/spheres.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/spheres.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader-code.d.ts +3 -1
- package/lib/commonjs/mol-gl/shader-code.js +43 -14
- package/lib/commonjs/mol-gl/webgl/render-item.d.ts +7 -6
- package/lib/commonjs/mol-gl/webgl/render-item.js +10 -8
- package/lib/commonjs/mol-gl/webgl/resources.js +8 -1
- package/lib/commonjs/mol-io/reader/cif/schema/bird.d.ts +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/bird.js +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/ccd.d.ts +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/ccd.js +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif.d.ts +2 -2
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif.js +1 -1
- package/lib/commonjs/mol-io/reader/mol/parser.d.ts +23 -1
- package/lib/commonjs/mol-io/reader/mol/parser.js +116 -4
- package/lib/commonjs/mol-io/reader/mol2/parser.d.ts +1 -1
- package/lib/commonjs/mol-io/reader/mol2/parser.js +33 -3
- package/lib/commonjs/mol-io/reader/mol2/schema.d.ts +12 -1
- package/lib/commonjs/mol-io/reader/mol2/schema.js +1 -1
- package/lib/commonjs/mol-io/reader/sdf/parser-v3-util.d.ts +6 -0
- package/lib/commonjs/mol-io/reader/sdf/parser-v3-util.js +9 -0
- package/lib/commonjs/mol-io/reader/sdf/parser.d.ts +3 -1
- package/lib/commonjs/mol-io/reader/sdf/parser.js +11 -2
- package/lib/commonjs/mol-io/writer/cif/encoder/binary.js +9 -2
- package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.js +2 -2
- package/lib/commonjs/mol-math/geometry/symmetry-operator.d.ts +1 -1
- package/lib/commonjs/mol-math/geometry/symmetry-operator.js +10 -4
- package/lib/commonjs/mol-math/linear-algebra/3d/quat.d.ts +9 -1
- package/lib/commonjs/mol-math/linear-algebra/3d/quat.js +20 -1
- package/lib/commonjs/mol-model/structure/export/mmcif.d.ts +1 -1
- package/lib/commonjs/mol-model/structure/export/mmcif.js +8 -5
- package/lib/commonjs/mol-model/structure/model/properties/common.d.ts +1 -1
- package/lib/commonjs/mol-model/structure/structure/element/stats.js +8 -0
- package/lib/commonjs/mol-model/structure/structure/properties.d.ts +1 -0
- package/lib/commonjs/mol-model/structure/structure/properties.js +2 -1
- package/lib/commonjs/mol-model/structure/structure/symmetry.js +1 -3
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/common.d.ts +2 -1
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/common.js +11 -2
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.d.ts +1 -1
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.js +20 -10
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/intra-compute.d.ts +1 -1
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/intra-compute.js +21 -11
- package/lib/commonjs/mol-model/structure/structure/util/superposition-db-mapping.js +10 -5
- package/lib/commonjs/mol-model-formats/shape/ply.d.ts +20 -0
- package/lib/commonjs/mol-model-formats/structure/basic/atomic.d.ts +2 -2
- package/lib/commonjs/mol-model-formats/structure/basic/atomic.js +6 -6
- package/lib/commonjs/mol-model-formats/structure/basic/coarse.d.ts +1 -1
- package/lib/commonjs/mol-model-formats/structure/basic/coarse.js +3 -3
- package/lib/commonjs/mol-model-formats/structure/basic/entities.d.ts +2 -1
- package/lib/commonjs/mol-model-formats/structure/basic/entities.js +28 -24
- package/lib/commonjs/mol-model-formats/structure/basic/parser.js +17 -8
- package/lib/commonjs/mol-model-formats/structure/basic/properties.d.ts +6 -1
- package/lib/commonjs/mol-model-formats/structure/basic/properties.js +12 -22
- package/lib/commonjs/mol-model-formats/structure/mol.d.ts +2 -1
- package/lib/commonjs/mol-model-formats/structure/mol.js +19 -5
- package/lib/commonjs/mol-model-formats/structure/mol2.d.ts +1 -1
- package/lib/commonjs/mol-model-formats/structure/mol2.js +37 -7
- package/lib/commonjs/mol-model-formats/structure/property/bonds/index-pair.d.ts +18 -1
- package/lib/commonjs/mol-model-formats/structure/property/bonds/index-pair.js +18 -5
- package/lib/commonjs/mol-model-props/common/custom-property.d.ts +1 -1
- package/lib/commonjs/mol-model-props/computed/representations/interactions-inter-unit-cylinder.d.ts +10 -0
- package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.d.ts +11 -1
- package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js +25 -10
- package/lib/commonjs/mol-model-props/computed/representations/interactions.d.ts +30 -0
- package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/representation.d.ts +40 -0
- package/lib/commonjs/mol-model-props/sequence/best-database-mapping.js +15 -15
- package/lib/commonjs/mol-plugin/animation-loop.d.ts +2 -0
- package/lib/commonjs/mol-plugin/animation-loop.js +1 -1
- package/lib/commonjs/mol-plugin/behavior/dynamic/representation.js +4 -6
- package/lib/commonjs/mol-plugin/behavior/dynamic/selection/structure-focus-representation.d.ts +11 -0
- package/lib/commonjs/mol-plugin/behavior/dynamic/selection/structure-focus-representation.js +3 -1
- package/lib/commonjs/mol-plugin/commands.d.ts +7 -6
- package/lib/commonjs/mol-plugin/config.d.ts +1 -2
- package/lib/commonjs/mol-plugin/config.js +4 -25
- package/lib/commonjs/mol-plugin/features.d.ts +9 -0
- package/lib/commonjs/mol-plugin/features.js +38 -0
- package/lib/commonjs/mol-plugin/spec.d.ts +1 -1
- package/lib/commonjs/mol-plugin/spec.js +4 -1
- package/lib/commonjs/mol-plugin/util/viewport-screenshot.d.ts +12 -0
- package/lib/commonjs/mol-plugin-state/actions/file.d.ts +3 -2
- package/lib/commonjs/mol-plugin-state/actions/file.js +67 -31
- package/lib/commonjs/mol-plugin-state/actions/structure.d.ts +1 -0
- package/lib/commonjs/mol-plugin-state/actions/structure.js +41 -8
- package/lib/commonjs/mol-plugin-state/animation/built-in/camera-rock.d.ts +16 -0
- package/lib/commonjs/mol-plugin-state/animation/built-in/camera-rock.js +62 -0
- package/lib/commonjs/mol-plugin-state/animation/built-in/camera-spin.d.ts +1 -1
- package/lib/commonjs/mol-plugin-state/animation/built-in/camera-spin.js +9 -8
- package/lib/commonjs/mol-plugin-state/animation/model.d.ts +4 -0
- package/lib/commonjs/mol-plugin-state/builder/structure/hierarchy-preset.d.ts +6 -6
- package/lib/commonjs/mol-plugin-state/builder/structure/hierarchy.d.ts +1 -1
- package/lib/commonjs/mol-plugin-state/builder/structure/representation-preset.d.ts +149 -5
- package/lib/commonjs/mol-plugin-state/builder/structure/representation-preset.js +74 -2
- package/lib/commonjs/mol-plugin-state/helpers/structure-clipping.d.ts +1 -1
- package/lib/commonjs/mol-plugin-state/helpers/structure-clipping.js +1 -1
- package/lib/commonjs/mol-plugin-state/manager/animation.d.ts +5 -1
- package/lib/commonjs/mol-plugin-state/manager/animation.js +5 -5
- package/lib/commonjs/mol-plugin-state/manager/structure/component.d.ts +13 -1
- package/lib/commonjs/mol-plugin-state/manager/structure/component.js +13 -8
- package/lib/commonjs/mol-plugin-state/manager/structure/selection.js +3 -1
- package/lib/commonjs/mol-plugin-state/transforms/representation.d.ts +32 -0
- package/lib/commonjs/mol-plugin-state/transforms/representation.js +2 -2
- package/lib/commonjs/mol-plugin-ui/structure/superposition.js +2 -2
- package/lib/commonjs/mol-plugin-ui/viewport/simple-settings.d.ts +1 -1
- package/lib/commonjs/mol-plugin-ui/viewport/simple-settings.js +6 -14
- package/lib/commonjs/mol-repr/shape/loci/angle.d.ts +10 -0
- package/lib/commonjs/mol-repr/shape/loci/common.d.ts +10 -0
- package/lib/commonjs/mol-repr/shape/loci/dihedral.d.ts +10 -0
- package/lib/commonjs/mol-repr/shape/loci/distance.d.ts +10 -0
- package/lib/commonjs/mol-repr/shape/loci/label.d.ts +10 -0
- package/lib/commonjs/mol-repr/shape/loci/orientation.d.ts +10 -0
- package/lib/commonjs/mol-repr/shape/loci/plane.d.ts +10 -0
- package/lib/commonjs/mol-repr/shape/model/unitcell.d.ts +10 -0
- package/lib/commonjs/mol-repr/structure/complex-representation.js +1 -1
- package/lib/commonjs/mol-repr/structure/complex-visual.d.ts +61 -19
- package/lib/commonjs/mol-repr/structure/params.d.ts +81 -19
- package/lib/commonjs/mol-repr/structure/registry.d.ts +141 -19
- package/lib/commonjs/mol-repr/structure/representation/backbone.d.ts +30 -0
- package/lib/commonjs/mol-repr/structure/representation/ball-and-stick.d.ts +30 -0
- package/lib/commonjs/mol-repr/structure/representation/carbohydrate.d.ts +30 -0
- package/lib/commonjs/mol-repr/structure/representation/cartoon.d.ts +30 -0
- package/lib/commonjs/mol-repr/structure/representation/ellipsoid.d.ts +30 -0
- package/lib/commonjs/mol-repr/structure/representation/gaussian-surface.d.ts +30 -0
- package/lib/commonjs/mol-repr/structure/representation/gaussian-surface.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/gaussian-volume.d.ts +34 -58
- package/lib/commonjs/mol-repr/structure/representation/gaussian-volume.js +2 -7
- package/lib/commonjs/mol-repr/structure/representation/label.d.ts +30 -0
- package/lib/commonjs/mol-repr/structure/representation/label.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/line.d.ts +30 -0
- package/lib/commonjs/mol-repr/structure/representation/molecular-surface.d.ts +30 -0
- package/lib/commonjs/mol-repr/structure/representation/molecular-surface.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/orientation.d.ts +30 -0
- package/lib/commonjs/mol-repr/structure/representation/point.d.ts +30 -0
- package/lib/commonjs/mol-repr/structure/representation/putty.d.ts +30 -0
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- package/lib/mol-plugin-state/actions/structure.js +41 -8
- package/lib/mol-plugin-state/animation/built-in/camera-rock.d.ts +16 -0
- package/lib/mol-plugin-state/animation/built-in/camera-rock.js +59 -0
- package/lib/mol-plugin-state/animation/built-in/camera-spin.d.ts +1 -1
- package/lib/mol-plugin-state/animation/built-in/camera-spin.js +9 -8
- package/lib/mol-plugin-state/animation/model.d.ts +4 -0
- package/lib/mol-plugin-state/builder/structure/hierarchy-preset.d.ts +6 -6
- package/lib/mol-plugin-state/builder/structure/hierarchy.d.ts +1 -1
- package/lib/mol-plugin-state/builder/structure/representation-preset.d.ts +149 -5
- package/lib/mol-plugin-state/builder/structure/representation-preset.js +74 -2
- package/lib/mol-plugin-state/helpers/structure-clipping.d.ts +1 -1
- package/lib/mol-plugin-state/helpers/structure-clipping.js +1 -1
- package/lib/mol-plugin-state/manager/animation.d.ts +5 -1
- package/lib/mol-plugin-state/manager/animation.js +5 -5
- package/lib/mol-plugin-state/manager/structure/component.d.ts +13 -1
- package/lib/mol-plugin-state/manager/structure/component.js +13 -8
- package/lib/mol-plugin-state/manager/structure/selection.js +3 -1
- package/lib/mol-plugin-state/transforms/representation.d.ts +32 -0
- package/lib/mol-plugin-state/transforms/representation.js +2 -2
- package/lib/mol-plugin-ui/structure/superposition.js +2 -2
- package/lib/mol-plugin-ui/viewport/simple-settings.d.ts +1 -1
- package/lib/mol-plugin-ui/viewport/simple-settings.js +6 -14
- package/lib/mol-repr/shape/loci/angle.d.ts +10 -0
- package/lib/mol-repr/shape/loci/common.d.ts +10 -0
- package/lib/mol-repr/shape/loci/dihedral.d.ts +10 -0
- package/lib/mol-repr/shape/loci/distance.d.ts +10 -0
- package/lib/mol-repr/shape/loci/label.d.ts +10 -0
- package/lib/mol-repr/shape/loci/orientation.d.ts +10 -0
- package/lib/mol-repr/shape/loci/plane.d.ts +10 -0
- package/lib/mol-repr/shape/model/unitcell.d.ts +10 -0
- package/lib/mol-repr/structure/complex-representation.js +1 -1
- package/lib/mol-repr/structure/complex-visual.d.ts +61 -19
- package/lib/mol-repr/structure/params.d.ts +81 -19
- package/lib/mol-repr/structure/registry.d.ts +141 -19
- package/lib/mol-repr/structure/representation/backbone.d.ts +30 -0
- package/lib/mol-repr/structure/representation/ball-and-stick.d.ts +30 -0
- package/lib/mol-repr/structure/representation/carbohydrate.d.ts +30 -0
- package/lib/mol-repr/structure/representation/cartoon.d.ts +30 -0
- package/lib/mol-repr/structure/representation/ellipsoid.d.ts +30 -0
- package/lib/mol-repr/structure/representation/gaussian-surface.d.ts +30 -0
- package/lib/mol-repr/structure/representation/gaussian-surface.js +1 -1
- package/lib/mol-repr/structure/representation/gaussian-volume.d.ts +34 -58
- package/lib/mol-repr/structure/representation/gaussian-volume.js +2 -7
- package/lib/mol-repr/structure/representation/label.d.ts +30 -0
- package/lib/mol-repr/structure/representation/label.js +1 -1
- package/lib/mol-repr/structure/representation/line.d.ts +30 -0
- package/lib/mol-repr/structure/representation/molecular-surface.d.ts +30 -0
- package/lib/mol-repr/structure/representation/molecular-surface.js +1 -1
- package/lib/mol-repr/structure/representation/orientation.d.ts +30 -0
- package/lib/mol-repr/structure/representation/point.d.ts +30 -0
- package/lib/mol-repr/structure/representation/putty.d.ts +30 -0
- package/lib/mol-repr/structure/representation/spacefill.d.ts +30 -0
- package/lib/mol-repr/structure/units-representation.js +1 -1
- package/lib/mol-repr/structure/units-visual.d.ts +81 -19
- package/lib/mol-repr/structure/visual/bond-inter-unit-cylinder.d.ts +20 -0
- package/lib/mol-repr/structure/visual/bond-inter-unit-line.d.ts +10 -0
- package/lib/mol-repr/structure/visual/bond-intra-unit-cylinder.d.ts +20 -0
- package/lib/mol-repr/structure/visual/bond-intra-unit-line.d.ts +10 -0
- package/lib/mol-repr/structure/visual/carbohydrate-link-cylinder.d.ts +11 -1
- package/lib/mol-repr/structure/visual/carbohydrate-link-cylinder.js +8 -4
- package/lib/mol-repr/structure/visual/carbohydrate-symbol-mesh.d.ts +11 -1
- package/lib/mol-repr/structure/visual/carbohydrate-symbol-mesh.js +10 -6
- package/lib/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.d.ts +11 -1
- package/lib/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.js +8 -4
- package/lib/mol-repr/structure/visual/element-cross.d.ts +10 -0
- package/lib/mol-repr/structure/visual/element-point.d.ts +10 -0
- package/lib/mol-repr/structure/visual/element-sphere.d.ts +20 -0
- package/lib/mol-repr/structure/visual/ellipsoid-mesh.d.ts +10 -0
- package/lib/mol-repr/structure/visual/gaussian-density-volume.d.ts +22 -38
- package/lib/mol-repr/structure/visual/gaussian-density-volume.js +8 -6
- package/lib/mol-repr/structure/visual/gaussian-surface-mesh.d.ts +40 -0
- package/lib/mol-repr/structure/visual/gaussian-surface-mesh.js +11 -8
- package/lib/mol-repr/structure/visual/gaussian-surface-wireframe.d.ts +10 -0
- package/lib/mol-repr/structure/visual/gaussian-surface-wireframe.js +1 -1
- package/lib/mol-repr/structure/visual/label-text.d.ts +10 -0
- package/lib/mol-repr/structure/visual/label-text.js +1 -2
- package/lib/mol-repr/structure/visual/molecular-surface-mesh.d.ts +10 -0
- package/lib/mol-repr/structure/visual/molecular-surface-mesh.js +1 -1
- package/lib/mol-repr/structure/visual/molecular-surface-wireframe.d.ts +10 -0
- package/lib/mol-repr/structure/visual/molecular-surface-wireframe.js +1 -1
- package/lib/mol-repr/structure/visual/nucleotide-block-mesh.d.ts +10 -0
- package/lib/mol-repr/structure/visual/nucleotide-ring-mesh.d.ts +10 -0
- package/lib/mol-repr/structure/visual/orientation-ellipsoid-mesh.d.ts +10 -0
- package/lib/mol-repr/structure/visual/polymer-backbone-cylinder.d.ts +20 -0
- package/lib/mol-repr/structure/visual/polymer-backbone-sphere.d.ts +20 -0
- package/lib/mol-repr/structure/visual/polymer-direction-wedge.d.ts +10 -0
- package/lib/mol-repr/structure/visual/polymer-gap-cylinder.d.ts +10 -0
- package/lib/mol-repr/structure/visual/polymer-trace-mesh.d.ts +10 -0
- package/lib/mol-repr/structure/visual/polymer-tube-mesh.d.ts +10 -0
- package/lib/mol-repr/structure/visual/util/common.d.ts +3 -2
- package/lib/mol-repr/structure/visual/util/common.js +2 -5
- package/lib/mol-repr/structure/visual/util/gaussian.d.ts +7 -6
- package/lib/mol-repr/structure/visual/util/gaussian.js +12 -12
- package/lib/mol-repr/structure/visual/util/molecular-surface.d.ts +2 -1
- package/lib/mol-repr/structure/visual/util/molecular-surface.js +4 -4
- package/lib/mol-repr/visual.d.ts +1 -1
- package/lib/mol-repr/visual.js +13 -8
- package/lib/mol-repr/volume/direct-volume.d.ts +33 -57
- package/lib/mol-repr/volume/direct-volume.js +8 -12
- package/lib/mol-repr/volume/isosurface.d.ts +60 -0
- package/lib/mol-repr/volume/isosurface.js +11 -2
- package/lib/mol-repr/volume/registry.d.ts +31 -19
- package/lib/mol-repr/volume/representation.d.ts +10 -0
- package/lib/mol-repr/volume/slice.d.ts +30 -0
- package/lib/mol-repr/volume/slice.js +2 -2
- package/lib/mol-repr/volume/util.js +2 -2
- package/lib/mol-state/tree/immutable.d.ts +18 -0
- package/lib/mol-state/tree/transient.d.ts +3 -4
- package/lib/mol-theme/clipping.d.ts +7 -15
- package/lib/mol-theme/clipping.js +5 -12
- package/lib/mol-theme/color/element-symbol.d.ts +243 -1
- package/lib/mol-theme/color/element-symbol.js +10 -5
- package/lib/mol-theme/color/entity-id.d.ts +1 -1
- package/lib/mol-theme/color/entity-id.js +26 -5
- package/lib/mol-theme/color/illustrative.d.ts +100 -29
- package/lib/mol-theme/color/illustrative.js +26 -7
- package/lib/mol-theme/color/molecule-type.d.ts +19 -1
- package/lib/mol-theme/color/molecule-type.js +10 -5
- package/lib/mol-theme/color/residue-name.d.ts +77 -1
- package/lib/mol-theme/color/residue-name.js +10 -5
- package/lib/mol-theme/color/secondary-structure.d.ts +27 -1
- package/lib/mol-theme/color/secondary-structure.js +10 -5
- package/lib/mol-theme/color/volume-value.d.ts +17 -0
- package/lib/mol-theme/color/volume-value.js +52 -0
- package/lib/mol-theme/color.d.ts +233 -14
- package/lib/mol-theme/color.js +2 -0
- package/lib/mol-util/clip.d.ts +49 -0
- package/lib/mol-util/clip.js +93 -0
- package/lib/mol-util/color/color.d.ts +1 -1
- package/lib/mol-util/color/color.js +1 -1
- package/lib/mol-util/color/params.d.ts +10 -0
- package/lib/mol-util/color/params.js +15 -0
- package/lib/mol-util/number-packing.d.ts +11 -0
- package/lib/mol-util/{float-packing.js → number-packing.js} +7 -14
- package/package.json +36 -35
- package/lib/commonjs/mol-util/float-packing.d.ts +0 -15
- package/lib/mol-util/float-packing.d.ts +0 -15
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throw new Error("Could not get element with id '".concat(elementOrId, "'"));
|
|
150
|
+
return [4 /*yield*/, createPluginUI(element, spec, {
|
|
151
|
+
onBeforeUIRender: function (plugin) {
|
|
152
|
+
// the preset needs to be added before the UI renders otherwise
|
|
153
|
+
// "Download Structure" wont be able to pick it up
|
|
154
|
+
plugin.builders.structure.representation.registerPreset(ViewerAutoPreset);
|
|
155
|
+
}
|
|
156
|
+
})];
|
|
157
|
+
case 1:
|
|
158
|
+
plugin = _c.sent();
|
|
159
|
+
return [2 /*return*/, new Viewer(plugin)];
|
|
160
|
+
}
|
|
161
|
+
});
|
|
162
|
+
});
|
|
163
|
+
};
|
|
164
|
+
Viewer.prototype.setRemoteSnapshot = function (id) {
|
|
165
|
+
var url = "".concat(this.plugin.config.get(PluginConfig.State.CurrentServer), "/get/").concat(id);
|
|
166
|
+
return PluginCommands.State.Snapshots.Fetch(this.plugin, { url: url });
|
|
167
|
+
};
|
|
168
|
+
Viewer.prototype.loadSnapshotFromUrl = function (url, type) {
|
|
169
|
+
return PluginCommands.State.Snapshots.OpenUrl(this.plugin, { url: url, type: type });
|
|
170
|
+
};
|
|
171
|
+
Viewer.prototype.loadStructureFromUrl = function (url, format, isBinary, options) {
|
|
172
|
+
if (format === void 0) { format = 'mmcif'; }
|
|
173
|
+
if (isBinary === void 0) { isBinary = false; }
|
|
174
|
+
var params = DownloadStructure.createDefaultParams(this.plugin.state.data.root.obj, this.plugin);
|
|
175
|
+
return this.plugin.runTask(this.plugin.state.data.applyAction(DownloadStructure, {
|
|
176
|
+
source: {
|
|
177
|
+
name: 'url',
|
|
178
|
+
params: {
|
|
179
|
+
url: Asset.Url(url),
|
|
180
|
+
format: format,
|
|
181
|
+
isBinary: isBinary,
|
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182
|
+
options: __assign(__assign({}, params.source.params.options), { representationParams: options === null || options === void 0 ? void 0 : options.representationParams }),
|
|
183
|
+
}
|
|
184
|
+
}
|
|
185
|
+
}));
|
|
186
|
+
};
|
|
187
|
+
Viewer.prototype.loadAllModelsOrAssemblyFromUrl = function (url, format, isBinary, options) {
|
|
188
|
+
if (format === void 0) { format = 'mmcif'; }
|
|
189
|
+
if (isBinary === void 0) { isBinary = false; }
|
|
190
|
+
return __awaiter(this, void 0, void 0, function () {
|
|
191
|
+
var plugin, data, trajectory;
|
|
192
|
+
return __generator(this, function (_a) {
|
|
193
|
+
switch (_a.label) {
|
|
194
|
+
case 0:
|
|
195
|
+
plugin = this.plugin;
|
|
196
|
+
return [4 /*yield*/, plugin.builders.data.download({ url: url, isBinary: isBinary }, { state: { isGhost: true } })];
|
|
197
|
+
case 1:
|
|
198
|
+
data = _a.sent();
|
|
199
|
+
return [4 /*yield*/, plugin.builders.structure.parseTrajectory(data, format)];
|
|
200
|
+
case 2:
|
|
201
|
+
trajectory = _a.sent();
|
|
202
|
+
return [4 /*yield*/, this.plugin.builders.structure.hierarchy.applyPreset(trajectory, 'all-models', { useDefaultIfSingleModel: true, representationPresetParams: options === null || options === void 0 ? void 0 : options.representationParams })];
|
|
203
|
+
case 3:
|
|
204
|
+
_a.sent();
|
|
205
|
+
return [2 /*return*/];
|
|
206
|
+
}
|
|
207
|
+
});
|
|
208
|
+
});
|
|
209
|
+
};
|
|
210
|
+
Viewer.prototype.loadStructureFromData = function (data, format, options) {
|
|
211
|
+
return __awaiter(this, void 0, void 0, function () {
|
|
212
|
+
var _data, trajectory;
|
|
213
|
+
return __generator(this, function (_a) {
|
|
214
|
+
switch (_a.label) {
|
|
215
|
+
case 0: return [4 /*yield*/, this.plugin.builders.data.rawData({ data: data, label: options === null || options === void 0 ? void 0 : options.dataLabel })];
|
|
216
|
+
case 1:
|
|
217
|
+
_data = _a.sent();
|
|
218
|
+
return [4 /*yield*/, this.plugin.builders.structure.parseTrajectory(_data, format)];
|
|
219
|
+
case 2:
|
|
220
|
+
trajectory = _a.sent();
|
|
221
|
+
return [4 /*yield*/, this.plugin.builders.structure.hierarchy.applyPreset(trajectory, 'default')];
|
|
222
|
+
case 3:
|
|
223
|
+
_a.sent();
|
|
224
|
+
return [2 /*return*/];
|
|
225
|
+
}
|
|
226
|
+
});
|
|
227
|
+
});
|
|
228
|
+
};
|
|
229
|
+
Viewer.prototype.loadPdb = function (pdb, options) {
|
|
230
|
+
var params = DownloadStructure.createDefaultParams(this.plugin.state.data.root.obj, this.plugin);
|
|
231
|
+
var provider = this.plugin.config.get(PluginConfig.Download.DefaultPdbProvider);
|
|
232
|
+
return this.plugin.runTask(this.plugin.state.data.applyAction(DownloadStructure, {
|
|
233
|
+
source: {
|
|
234
|
+
name: 'pdb',
|
|
235
|
+
params: {
|
|
236
|
+
provider: {
|
|
237
|
+
id: pdb,
|
|
238
|
+
server: {
|
|
239
|
+
name: provider,
|
|
240
|
+
params: PdbDownloadProvider[provider].defaultValue
|
|
241
|
+
}
|
|
242
|
+
},
|
|
243
|
+
options: __assign(__assign({}, params.source.params.options), { representationParams: options === null || options === void 0 ? void 0 : options.representationParams }),
|
|
244
|
+
}
|
|
245
|
+
}
|
|
246
|
+
}));
|
|
247
|
+
};
|
|
248
|
+
Viewer.prototype.loadPdbDev = function (pdbDev) {
|
|
249
|
+
var params = DownloadStructure.createDefaultParams(this.plugin.state.data.root.obj, this.plugin);
|
|
250
|
+
return this.plugin.runTask(this.plugin.state.data.applyAction(DownloadStructure, {
|
|
251
|
+
source: {
|
|
252
|
+
name: 'pdb-dev',
|
|
253
|
+
params: {
|
|
254
|
+
provider: {
|
|
255
|
+
id: pdbDev,
|
|
256
|
+
encoding: 'bcif',
|
|
257
|
+
},
|
|
258
|
+
options: params.source.params.options,
|
|
259
|
+
}
|
|
260
|
+
}
|
|
261
|
+
}));
|
|
262
|
+
};
|
|
263
|
+
Viewer.prototype.loadEmdb = function (emdb, options) {
|
|
264
|
+
var _a;
|
|
265
|
+
var provider = this.plugin.config.get(PluginConfig.Download.DefaultEmdbProvider);
|
|
266
|
+
return this.plugin.runTask(this.plugin.state.data.applyAction(DownloadDensity, {
|
|
267
|
+
source: {
|
|
268
|
+
name: 'pdb-emd-ds',
|
|
269
|
+
params: {
|
|
270
|
+
provider: {
|
|
271
|
+
id: emdb,
|
|
272
|
+
server: provider,
|
|
273
|
+
},
|
|
274
|
+
detail: (_a = options === null || options === void 0 ? void 0 : options.detail) !== null && _a !== void 0 ? _a : 3,
|
|
275
|
+
}
|
|
276
|
+
}
|
|
277
|
+
}));
|
|
278
|
+
};
|
|
279
|
+
Viewer.prototype.loadAlphaFoldDb = function (afdb) {
|
|
280
|
+
var params = DownloadStructure.createDefaultParams(this.plugin.state.data.root.obj, this.plugin);
|
|
281
|
+
return this.plugin.runTask(this.plugin.state.data.applyAction(DownloadStructure, {
|
|
282
|
+
source: {
|
|
283
|
+
name: 'alphafolddb',
|
|
284
|
+
params: {
|
|
285
|
+
id: afdb,
|
|
286
|
+
options: __assign(__assign({}, params.source.params.options), { representation: 'preset-structure-representation-ma-quality-assessment-plddt' }),
|
|
287
|
+
}
|
|
288
|
+
}
|
|
289
|
+
}));
|
|
290
|
+
};
|
|
291
|
+
Viewer.prototype.loadModelArchive = function (id) {
|
|
292
|
+
var params = DownloadStructure.createDefaultParams(this.plugin.state.data.root.obj, this.plugin);
|
|
293
|
+
return this.plugin.runTask(this.plugin.state.data.applyAction(DownloadStructure, {
|
|
294
|
+
source: {
|
|
295
|
+
name: 'modelarchive',
|
|
296
|
+
params: {
|
|
297
|
+
id: id,
|
|
298
|
+
options: params.source.params.options,
|
|
299
|
+
}
|
|
300
|
+
}
|
|
301
|
+
}));
|
|
302
|
+
};
|
|
303
|
+
/**
|
|
304
|
+
* @example Load X-ray density from volume server
|
|
305
|
+
viewer.loadVolumeFromUrl({
|
|
306
|
+
url: 'https://www.ebi.ac.uk/pdbe/densities/x-ray/1tqn/cell?detail=3',
|
|
307
|
+
format: 'dscif',
|
|
308
|
+
isBinary: true
|
|
309
|
+
}, [{
|
|
310
|
+
type: 'relative',
|
|
311
|
+
value: 1.5,
|
|
312
|
+
color: 0x3362B2
|
|
313
|
+
}, {
|
|
314
|
+
type: 'relative',
|
|
315
|
+
value: 3,
|
|
316
|
+
color: 0x33BB33,
|
|
317
|
+
volumeIndex: 1
|
|
318
|
+
}, {
|
|
319
|
+
type: 'relative',
|
|
320
|
+
value: -3,
|
|
321
|
+
color: 0xBB3333,
|
|
322
|
+
volumeIndex: 1
|
|
323
|
+
}], {
|
|
324
|
+
entryId: ['2FO-FC', 'FO-FC'],
|
|
325
|
+
isLazy: true
|
|
326
|
+
});
|
|
327
|
+
* *********************
|
|
328
|
+
* @example Load EM density from volume server
|
|
329
|
+
viewer.loadVolumeFromUrl({
|
|
330
|
+
url: 'https://maps.rcsb.org/em/emd-30210/cell?detail=6',
|
|
331
|
+
format: 'dscif',
|
|
332
|
+
isBinary: true
|
|
333
|
+
}, [{
|
|
334
|
+
type: 'relative',
|
|
335
|
+
value: 1,
|
|
336
|
+
color: 0x3377aa
|
|
337
|
+
}], {
|
|
338
|
+
entryId: 'EMD-30210',
|
|
339
|
+
isLazy: true
|
|
340
|
+
});
|
|
341
|
+
*/
|
|
342
|
+
Viewer.prototype.loadVolumeFromUrl = function (_a, isovalues, options) {
|
|
343
|
+
var url = _a.url, format = _a.format, isBinary = _a.isBinary;
|
|
344
|
+
return __awaiter(this, void 0, void 0, function () {
|
|
345
|
+
var plugin, update;
|
|
346
|
+
var _this = this;
|
|
347
|
+
return __generator(this, function (_b) {
|
|
348
|
+
plugin = this.plugin;
|
|
349
|
+
if (!plugin.dataFormats.get(format)) {
|
|
350
|
+
throw new Error("Unknown density format: ".concat(format));
|
|
351
|
+
}
|
|
352
|
+
if (options === null || options === void 0 ? void 0 : options.isLazy) {
|
|
353
|
+
update = this.plugin.build();
|
|
354
|
+
update.toRoot().apply(StateTransforms.Data.LazyVolume, {
|
|
355
|
+
url: url,
|
|
356
|
+
format: format,
|
|
357
|
+
entryId: options === null || options === void 0 ? void 0 : options.entryId,
|
|
358
|
+
isBinary: isBinary,
|
|
359
|
+
isovalues: isovalues.map(function (v) { return (__assign({ alpha: 1, volumeIndex: 0 }, v)); })
|
|
360
|
+
});
|
|
361
|
+
return [2 /*return*/, update.commit()];
|
|
362
|
+
}
|
|
363
|
+
return [2 /*return*/, plugin.dataTransaction(function () { return __awaiter(_this, void 0, void 0, function () {
|
|
364
|
+
var data, parsed, firstVolume, repr, _i, isovalues_1, iso;
|
|
365
|
+
var _a, _b, _c, _d;
|
|
366
|
+
return __generator(this, function (_e) {
|
|
367
|
+
switch (_e.label) {
|
|
368
|
+
case 0: return [4 /*yield*/, plugin.builders.data.download({ url: url, isBinary: isBinary }, { state: { isGhost: true } })];
|
|
369
|
+
case 1:
|
|
370
|
+
data = _e.sent();
|
|
371
|
+
return [4 /*yield*/, plugin.dataFormats.get(format).parse(plugin, data, { entryId: options === null || options === void 0 ? void 0 : options.entryId })];
|
|
372
|
+
case 2:
|
|
373
|
+
parsed = _e.sent();
|
|
374
|
+
firstVolume = (parsed.volume || parsed.volumes[0]);
|
|
375
|
+
if (!(firstVolume === null || firstVolume === void 0 ? void 0 : firstVolume.isOk))
|
|
376
|
+
throw new Error('Failed to parse any volume.');
|
|
377
|
+
repr = plugin.build();
|
|
378
|
+
for (_i = 0, isovalues_1 = isovalues; _i < isovalues_1.length; _i++) {
|
|
379
|
+
iso = isovalues_1[_i];
|
|
380
|
+
repr
|
|
381
|
+
.to((_c = (_a = parsed.volumes) === null || _a === void 0 ? void 0 : _a[(_b = iso.volumeIndex) !== null && _b !== void 0 ? _b : 0]) !== null && _c !== void 0 ? _c : parsed.volume)
|
|
382
|
+
.apply(StateTransforms.Representation.VolumeRepresentation3D, createVolumeRepresentationParams(this.plugin, firstVolume.data, {
|
|
383
|
+
type: 'isosurface',
|
|
384
|
+
typeParams: { alpha: (_d = iso.alpha) !== null && _d !== void 0 ? _d : 1, isoValue: iso.type === 'absolute' ? { kind: 'absolute', absoluteValue: iso.value } : { kind: 'relative', relativeValue: iso.value } },
|
|
385
|
+
color: 'uniform',
|
|
386
|
+
colorParams: { value: iso.color }
|
|
387
|
+
}));
|
|
388
|
+
}
|
|
389
|
+
return [4 /*yield*/, repr.commit()];
|
|
390
|
+
case 3:
|
|
391
|
+
_e.sent();
|
|
392
|
+
return [2 /*return*/];
|
|
393
|
+
}
|
|
394
|
+
});
|
|
395
|
+
}); })];
|
|
396
|
+
});
|
|
397
|
+
});
|
|
398
|
+
};
|
|
399
|
+
/**
|
|
400
|
+
* @example
|
|
401
|
+
* viewer.loadTrajectory({
|
|
402
|
+
* model: { kind: 'model-url', url: 'villin.gro', format: 'gro' },
|
|
403
|
+
* coordinates: { kind: 'coordinates-url', url: 'villin.xtc', format: 'xtc', isBinary: true },
|
|
404
|
+
* preset: 'all-models' // or 'default'
|
|
405
|
+
* });
|
|
406
|
+
*/
|
|
407
|
+
Viewer.prototype.loadTrajectory = function (params) {
|
|
408
|
+
var _a, _b;
|
|
409
|
+
return __awaiter(this, void 0, void 0, function () {
|
|
410
|
+
var plugin, model, coords, data, _c, trajectory_1, data, _d, provider, data, _e, provider, trajectory, preset;
|
|
411
|
+
return __generator(this, function (_f) {
|
|
412
|
+
switch (_f.label) {
|
|
413
|
+
case 0:
|
|
414
|
+
plugin = this.plugin;
|
|
415
|
+
if (!(params.model.kind === 'model-data' || params.model.kind === 'model-url')) return [3 /*break*/, 7];
|
|
416
|
+
if (!(params.model.kind === 'model-data')) return [3 /*break*/, 2];
|
|
417
|
+
return [4 /*yield*/, plugin.builders.data.rawData({ data: params.model.data, label: params.modelLabel })];
|
|
418
|
+
case 1:
|
|
419
|
+
_c = _f.sent();
|
|
420
|
+
return [3 /*break*/, 4];
|
|
421
|
+
case 2: return [4 /*yield*/, plugin.builders.data.download({ url: params.model.url, isBinary: params.model.isBinary, label: params.modelLabel })];
|
|
422
|
+
case 3:
|
|
423
|
+
_c = _f.sent();
|
|
424
|
+
_f.label = 4;
|
|
425
|
+
case 4:
|
|
426
|
+
data = _c;
|
|
427
|
+
return [4 /*yield*/, plugin.builders.structure.parseTrajectory(data, (_a = params.model.format) !== null && _a !== void 0 ? _a : 'mmcif')];
|
|
428
|
+
case 5:
|
|
429
|
+
trajectory_1 = _f.sent();
|
|
430
|
+
return [4 /*yield*/, plugin.builders.structure.createModel(trajectory_1)];
|
|
431
|
+
case 6:
|
|
432
|
+
model = _f.sent();
|
|
433
|
+
return [3 /*break*/, 13];
|
|
434
|
+
case 7:
|
|
435
|
+
if (!(params.model.kind === 'topology-data')) return [3 /*break*/, 9];
|
|
436
|
+
return [4 /*yield*/, plugin.builders.data.rawData({ data: params.model.data, label: params.modelLabel })];
|
|
437
|
+
case 8:
|
|
438
|
+
_d = _f.sent();
|
|
439
|
+
return [3 /*break*/, 11];
|
|
440
|
+
case 9: return [4 /*yield*/, plugin.builders.data.download({ url: params.model.url, isBinary: params.model.isBinary, label: params.modelLabel })];
|
|
441
|
+
case 10:
|
|
442
|
+
_d = _f.sent();
|
|
443
|
+
_f.label = 11;
|
|
444
|
+
case 11:
|
|
445
|
+
data = _d;
|
|
446
|
+
provider = plugin.dataFormats.get(params.model.format);
|
|
447
|
+
return [4 /*yield*/, provider.parse(plugin, data)];
|
|
448
|
+
case 12:
|
|
449
|
+
model = _f.sent();
|
|
450
|
+
_f.label = 13;
|
|
451
|
+
case 13:
|
|
452
|
+
if (!(params.coordinates.kind === 'coordinates-data')) return [3 /*break*/, 15];
|
|
453
|
+
return [4 /*yield*/, plugin.builders.data.rawData({ data: params.coordinates.data, label: params.coordinatesLabel })];
|
|
454
|
+
case 14:
|
|
455
|
+
_e = _f.sent();
|
|
456
|
+
return [3 /*break*/, 17];
|
|
457
|
+
case 15: return [4 /*yield*/, plugin.builders.data.download({ url: params.coordinates.url, isBinary: params.coordinates.isBinary, label: params.coordinatesLabel })];
|
|
458
|
+
case 16:
|
|
459
|
+
_e = _f.sent();
|
|
460
|
+
_f.label = 17;
|
|
461
|
+
case 17:
|
|
462
|
+
data = _e;
|
|
463
|
+
provider = plugin.dataFormats.get(params.coordinates.format);
|
|
464
|
+
return [4 /*yield*/, provider.parse(plugin, data)];
|
|
465
|
+
case 18:
|
|
466
|
+
coords = _f.sent();
|
|
467
|
+
return [4 /*yield*/, plugin.build().toRoot()
|
|
468
|
+
.apply(TrajectoryFromModelAndCoordinates, {
|
|
469
|
+
modelRef: model.ref,
|
|
470
|
+
coordinatesRef: coords.ref
|
|
471
|
+
}, { dependsOn: [model.ref, coords.ref] })
|
|
472
|
+
.commit()];
|
|
473
|
+
case 19:
|
|
474
|
+
trajectory = _f.sent();
|
|
475
|
+
return [4 /*yield*/, plugin.builders.structure.hierarchy.applyPreset(trajectory, (_b = params.preset) !== null && _b !== void 0 ? _b : 'default')];
|
|
476
|
+
case 20:
|
|
477
|
+
preset = _f.sent();
|
|
478
|
+
return [2 /*return*/, { model: model, coords: coords, preset: preset }];
|
|
479
|
+
}
|
|
480
|
+
});
|
|
481
|
+
});
|
|
482
|
+
};
|
|
483
|
+
Viewer.prototype.handleResize = function () {
|
|
484
|
+
this.plugin.layout.events.updated.next(void 0);
|
|
485
|
+
};
|
|
486
|
+
return Viewer;
|
|
487
|
+
}());
|
|
488
|
+
export { Viewer };
|
|
489
|
+
export var ViewerAutoPreset = StructureRepresentationPresetProvider({
|
|
490
|
+
id: 'preset-structure-representation-viewer-auto',
|
|
491
|
+
display: {
|
|
492
|
+
name: 'Automatic (w/ Annotation)', group: 'Annotation',
|
|
493
|
+
description: 'Show standard automatic representation but colored by quality assessment (if available in the model).'
|
|
494
|
+
},
|
|
495
|
+
isApplicable: function (a) {
|
|
496
|
+
return (!!a.data.models.some(function (m) { return QualityAssessment.isApplicable(m, 'pLDDT'); }) ||
|
|
497
|
+
!!a.data.models.some(function (m) { return QualityAssessment.isApplicable(m, 'qmean'); }));
|
|
498
|
+
},
|
|
499
|
+
params: function () { return StructureRepresentationPresetProvider.CommonParams; },
|
|
500
|
+
apply: function (ref, params, plugin) {
|
|
501
|
+
var _a;
|
|
502
|
+
return __awaiter(this, void 0, void 0, function () {
|
|
503
|
+
var structureCell, structure;
|
|
504
|
+
return __generator(this, function (_b) {
|
|
505
|
+
switch (_b.label) {
|
|
506
|
+
case 0:
|
|
507
|
+
structureCell = StateObjectRef.resolveAndCheck(plugin.state.data, ref);
|
|
508
|
+
structure = (_a = structureCell === null || structureCell === void 0 ? void 0 : structureCell.obj) === null || _a === void 0 ? void 0 : _a.data;
|
|
509
|
+
if (!structureCell || !structure)
|
|
510
|
+
return [2 /*return*/, {}];
|
|
511
|
+
if (!!!structure.models.some(function (m) { return QualityAssessment.isApplicable(m, 'pLDDT'); })) return [3 /*break*/, 2];
|
|
512
|
+
return [4 /*yield*/, QualityAssessmentPLDDTPreset.apply(ref, params, plugin)];
|
|
513
|
+
case 1: return [2 /*return*/, _b.sent()];
|
|
514
|
+
case 2:
|
|
515
|
+
if (!!!structure.models.some(function (m) { return QualityAssessment.isApplicable(m, 'qmean'); })) return [3 /*break*/, 4];
|
|
516
|
+
return [4 /*yield*/, QualityAssessmentQmeanPreset.apply(ref, params, plugin)];
|
|
517
|
+
case 3: return [2 /*return*/, _b.sent()];
|
|
518
|
+
case 4: return [4 /*yield*/, PresetStructureRepresentations.auto.apply(ref, params, plugin)];
|
|
519
|
+
case 5: return [2 /*return*/, _b.sent()];
|
|
520
|
+
}
|
|
521
|
+
});
|
|
522
|
+
});
|
|
523
|
+
}
|
|
524
|
+
});
|
|
525
|
+
//# sourceMappingURL=app.js.map
|