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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@@ -26,7 +26,7 @@ var MeshExporter = /** @class */ (function () {
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|
var g = tSize.array[i * 3 + 1];
|
|
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28
|
var b = tSize.array[i * 3 + 2];
|
|
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-
return
|
|
29
|
+
return unpackRGBToInt(r, g, b) / sizeDataFactor;
|
|
30
30
|
};
|
|
31
31
|
MeshExporter.getSize = function (values, instanceIndex, group) {
|
|
32
32
|
var tSize = values.tSize.ref.value;
|
|
@@ -54,9 +54,9 @@ var MeshExporter = /** @class */ (function () {
|
|
|
54
54
|
var g = groups[i4 + 1];
|
|
55
55
|
var b = groups[i4 + 2];
|
|
56
56
|
if (groups instanceof Float32Array) {
|
|
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-
return
|
|
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|
+
return unpackRGBToInt(r * 255 + 0.5, g * 255 + 0.5, b * 255 + 0.5);
|
|
58
58
|
}
|
|
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|
-
return
|
|
59
|
+
return unpackRGBToInt(r, g, b);
|
|
60
60
|
};
|
|
61
61
|
MeshExporter.getInterpolatedColors = function (webgl, input) {
|
|
62
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|
var values = input.values, vertexCount = input.vertexCount, vertices = input.vertices, colorType = input.colorType, stride = input.stride;
|
|
@@ -0,0 +1,9 @@
|
|
|
1
|
+
/**
|
|
2
|
+
* Copyright (c) 2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
3
|
+
*
|
|
4
|
+
* @author David Sehnal <david.sehnal@gmail.com>
|
|
5
|
+
*/
|
|
6
|
+
import { PluginContext } from '../../mol-plugin/context';
|
|
7
|
+
export declare function exportHierarchy(plugin: PluginContext, options?: {
|
|
8
|
+
format?: 'cif' | 'bcif';
|
|
9
|
+
}): Promise<void>;
|
|
@@ -0,0 +1,125 @@
|
|
|
1
|
+
/**
|
|
2
|
+
* Copyright (c) 2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
3
|
+
*
|
|
4
|
+
* @author David Sehnal <david.sehnal@gmail.com>
|
|
5
|
+
*/
|
|
6
|
+
import { __awaiter, __generator } from "tslib";
|
|
7
|
+
import { utf8ByteCount, utf8Write } from '../../mol-io/common/utf8';
|
|
8
|
+
import { to_mmCIF, Unit } from '../../mol-model/structure';
|
|
9
|
+
import { Task } from '../../mol-task';
|
|
10
|
+
import { getFormattedTime } from '../../mol-util/date';
|
|
11
|
+
import { download } from '../../mol-util/download';
|
|
12
|
+
import { zip } from '../../mol-util/zip/zip';
|
|
13
|
+
export function exportHierarchy(plugin, options) {
|
|
14
|
+
return __awaiter(this, void 0, void 0, function () {
|
|
15
|
+
var e_1;
|
|
16
|
+
return __generator(this, function (_a) {
|
|
17
|
+
switch (_a.label) {
|
|
18
|
+
case 0:
|
|
19
|
+
_a.trys.push([0, 2, , 3]);
|
|
20
|
+
return [4 /*yield*/, plugin.runTask(_exportHierarchy(plugin, options), { useOverlay: true })];
|
|
21
|
+
case 1:
|
|
22
|
+
_a.sent();
|
|
23
|
+
return [3 /*break*/, 3];
|
|
24
|
+
case 2:
|
|
25
|
+
e_1 = _a.sent();
|
|
26
|
+
console.error(e_1);
|
|
27
|
+
plugin.log.error("Model export failed. See console for details.");
|
|
28
|
+
return [3 /*break*/, 3];
|
|
29
|
+
case 3: return [2 /*return*/];
|
|
30
|
+
}
|
|
31
|
+
});
|
|
32
|
+
});
|
|
33
|
+
}
|
|
34
|
+
function _exportHierarchy(plugin, options) {
|
|
35
|
+
var _this = this;
|
|
36
|
+
return Task.create('Export', function (ctx) { return __awaiter(_this, void 0, void 0, function () {
|
|
37
|
+
var format, structures, files, entryMap, _i, structures_1, _s, s, name_1, zipData, _a, files_1, _b, fn, data, bytes, buffer;
|
|
38
|
+
var _c, _d, _e, _f, _g, _h, _j, _k;
|
|
39
|
+
return __generator(this, function (_l) {
|
|
40
|
+
switch (_l.label) {
|
|
41
|
+
case 0: return [4 /*yield*/, ctx.update({ message: 'Exporting...', isIndeterminate: true, canAbort: false })];
|
|
42
|
+
case 1:
|
|
43
|
+
_l.sent();
|
|
44
|
+
format = (_c = options === null || options === void 0 ? void 0 : options.format) !== null && _c !== void 0 ? _c : 'cif';
|
|
45
|
+
structures = plugin.managers.structure.hierarchy.current.structures;
|
|
46
|
+
files = [];
|
|
47
|
+
entryMap = new Map();
|
|
48
|
+
_i = 0, structures_1 = structures;
|
|
49
|
+
_l.label = 2;
|
|
50
|
+
case 2:
|
|
51
|
+
if (!(_i < structures_1.length)) return [3 /*break*/, 7];
|
|
52
|
+
_s = structures_1[_i];
|
|
53
|
+
s = (_f = (_e = (_d = _s.transform) === null || _d === void 0 ? void 0 : _d.cell.obj) === null || _e === void 0 ? void 0 : _e.data) !== null && _f !== void 0 ? _f : (_g = _s.cell.obj) === null || _g === void 0 ? void 0 : _g.data;
|
|
54
|
+
if (!s)
|
|
55
|
+
return [3 /*break*/, 6];
|
|
56
|
+
if (s.models.length > 1) {
|
|
57
|
+
plugin.log.warn("[Export] Skipping ".concat((_h = _s.cell.obj) === null || _h === void 0 ? void 0 : _h.label, ": Multimodel exports not supported."));
|
|
58
|
+
return [3 /*break*/, 6];
|
|
59
|
+
}
|
|
60
|
+
if (s.units.some(function (u) { return !Unit.isAtomic(u); })) {
|
|
61
|
+
plugin.log.warn("[Export] Skipping ".concat((_j = _s.cell.obj) === null || _j === void 0 ? void 0 : _j.label, ": Non-atomic model exports not supported."));
|
|
62
|
+
return [3 /*break*/, 6];
|
|
63
|
+
}
|
|
64
|
+
name_1 = entryMap.has(s.model.entryId)
|
|
65
|
+
? "".concat(s.model.entryId, "_").concat(entryMap.get(s.model.entryId) + 1, ".").concat(format)
|
|
66
|
+
: "".concat(s.model.entryId, ".").concat(format);
|
|
67
|
+
entryMap.set(s.model.entryId, ((_k = entryMap.get(s.model.entryId)) !== null && _k !== void 0 ? _k : 0) + 1);
|
|
68
|
+
return [4 /*yield*/, ctx.update({ message: "Exporting ".concat(s.model.entryId, "..."), isIndeterminate: true, canAbort: false })];
|
|
69
|
+
case 3:
|
|
70
|
+
_l.sent();
|
|
71
|
+
if (!(s.elementCount > 100000)) return [3 /*break*/, 5];
|
|
72
|
+
// Give UI chance to update, only needed for larger structures.
|
|
73
|
+
return [4 /*yield*/, new Promise(function (res) { return setTimeout(res, 50); })];
|
|
74
|
+
case 4:
|
|
75
|
+
// Give UI chance to update, only needed for larger structures.
|
|
76
|
+
_l.sent();
|
|
77
|
+
_l.label = 5;
|
|
78
|
+
case 5:
|
|
79
|
+
try {
|
|
80
|
+
files.push([name_1, to_mmCIF(s.model.entryId, s, format === 'bcif', { copyAllCategories: true })]);
|
|
81
|
+
}
|
|
82
|
+
catch (e) {
|
|
83
|
+
if (format === 'cif' && s.elementCount > 2000000) {
|
|
84
|
+
plugin.log.warn("[Export] The structure might be too big to be exported as Text CIF, consider using the BinaryCIF format instead.");
|
|
85
|
+
}
|
|
86
|
+
throw e;
|
|
87
|
+
}
|
|
88
|
+
_l.label = 6;
|
|
89
|
+
case 6:
|
|
90
|
+
_i++;
|
|
91
|
+
return [3 /*break*/, 2];
|
|
92
|
+
case 7:
|
|
93
|
+
if (!(files.length === 1)) return [3 /*break*/, 8];
|
|
94
|
+
download(new Blob([files[0][1]]), files[0][0]);
|
|
95
|
+
return [3 /*break*/, 11];
|
|
96
|
+
case 8:
|
|
97
|
+
if (!(files.length > 1)) return [3 /*break*/, 11];
|
|
98
|
+
zipData = {};
|
|
99
|
+
for (_a = 0, files_1 = files; _a < files_1.length; _a++) {
|
|
100
|
+
_b = files_1[_a], fn = _b[0], data = _b[1];
|
|
101
|
+
if (data instanceof Uint8Array) {
|
|
102
|
+
zipData[fn] = data;
|
|
103
|
+
}
|
|
104
|
+
else {
|
|
105
|
+
bytes = new Uint8Array(utf8ByteCount(data));
|
|
106
|
+
utf8Write(bytes, 0, data);
|
|
107
|
+
zipData[fn] = bytes;
|
|
108
|
+
}
|
|
109
|
+
}
|
|
110
|
+
return [4 /*yield*/, ctx.update({ message: "Compressing Data...", isIndeterminate: true, canAbort: false })];
|
|
111
|
+
case 9:
|
|
112
|
+
_l.sent();
|
|
113
|
+
return [4 /*yield*/, zip(ctx, zipData)];
|
|
114
|
+
case 10:
|
|
115
|
+
buffer = _l.sent();
|
|
116
|
+
download(new Blob([new Uint8Array(buffer, 0, buffer.byteLength)]), "structures_".concat(getFormattedTime(), ".zip"));
|
|
117
|
+
_l.label = 11;
|
|
118
|
+
case 11:
|
|
119
|
+
plugin.log.info("[Export] Done.");
|
|
120
|
+
return [2 /*return*/];
|
|
121
|
+
}
|
|
122
|
+
});
|
|
123
|
+
}); });
|
|
124
|
+
}
|
|
125
|
+
//# sourceMappingURL=export.js.map
|
|
@@ -0,0 +1,7 @@
|
|
|
1
|
+
/**
|
|
2
|
+
* Copyright (c) 2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
3
|
+
*
|
|
4
|
+
* @author David Sehnal <david.sehnal@gmail.com>
|
|
5
|
+
*/
|
|
6
|
+
import { PluginBehavior } from '../../mol-plugin/behavior/behavior';
|
|
7
|
+
export declare const ModelExport: import("../../mol-state/transformer").StateTransformer<PluginBehavior.Category, PluginBehavior.Behavior, {}>;
|
|
@@ -0,0 +1,33 @@
|
|
|
1
|
+
/**
|
|
2
|
+
* Copyright (c) 2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
3
|
+
*
|
|
4
|
+
* @author David Sehnal <david.sehnal@gmail.com>
|
|
5
|
+
*/
|
|
6
|
+
import { __extends } from "tslib";
|
|
7
|
+
import { PluginBehavior } from '../../mol-plugin/behavior/behavior';
|
|
8
|
+
import { ModelExportUI } from './ui';
|
|
9
|
+
export var ModelExport = PluginBehavior.create({
|
|
10
|
+
name: 'extension-model-export',
|
|
11
|
+
category: 'misc',
|
|
12
|
+
display: {
|
|
13
|
+
name: 'Model Export'
|
|
14
|
+
},
|
|
15
|
+
ctor: /** @class */ (function (_super) {
|
|
16
|
+
__extends(class_1, _super);
|
|
17
|
+
function class_1() {
|
|
18
|
+
return _super !== null && _super.apply(this, arguments) || this;
|
|
19
|
+
}
|
|
20
|
+
class_1.prototype.register = function () {
|
|
21
|
+
this.ctx.customStructureControls.set('model-export', ModelExportUI);
|
|
22
|
+
};
|
|
23
|
+
class_1.prototype.update = function () {
|
|
24
|
+
return false;
|
|
25
|
+
};
|
|
26
|
+
class_1.prototype.unregister = function () {
|
|
27
|
+
this.ctx.customStructureControls.delete('model-export');
|
|
28
|
+
};
|
|
29
|
+
return class_1;
|
|
30
|
+
}(PluginBehavior.Handler)),
|
|
31
|
+
params: function () { return ({}); }
|
|
32
|
+
});
|
|
33
|
+
//# sourceMappingURL=index.js.map
|
|
@@ -0,0 +1,11 @@
|
|
|
1
|
+
/**
|
|
2
|
+
* Copyright (c) 2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
3
|
+
*
|
|
4
|
+
* @author David Sehnal <david.sehnal@gmail.com>
|
|
5
|
+
*/
|
|
6
|
+
/// <reference types="react" />
|
|
7
|
+
import { CollapsableControls, CollapsableState } from '../../mol-plugin-ui/base';
|
|
8
|
+
export declare class ModelExportUI extends CollapsableControls<{}, {}> {
|
|
9
|
+
protected defaultState(): CollapsableState;
|
|
10
|
+
protected renderControls(): JSX.Element | null;
|
|
11
|
+
}
|
|
@@ -0,0 +1,74 @@
|
|
|
1
|
+
import { __assign, __awaiter, __extends, __generator } from "tslib";
|
|
2
|
+
import { jsx as _jsx, Fragment as _Fragment, jsxs as _jsxs } from "react/jsx-runtime";
|
|
3
|
+
/**
|
|
4
|
+
* Copyright (c) 2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
5
|
+
*
|
|
6
|
+
* @author David Sehnal <david.sehnal@gmail.com>
|
|
7
|
+
*/
|
|
8
|
+
import { useState } from 'react';
|
|
9
|
+
import { CollapsableControls } from '../../mol-plugin-ui/base';
|
|
10
|
+
import { Button } from '../../mol-plugin-ui/controls/common';
|
|
11
|
+
import { GetAppSvg } from '../../mol-plugin-ui/controls/icons';
|
|
12
|
+
import { ParameterControls } from '../../mol-plugin-ui/controls/parameters';
|
|
13
|
+
import { useBehavior } from '../../mol-plugin-ui/hooks/use-behavior';
|
|
14
|
+
import { ParamDefinition as PD } from '../../mol-util/param-definition';
|
|
15
|
+
import { exportHierarchy } from './export';
|
|
16
|
+
var ModelExportUI = /** @class */ (function (_super) {
|
|
17
|
+
__extends(ModelExportUI, _super);
|
|
18
|
+
function ModelExportUI() {
|
|
19
|
+
return _super !== null && _super.apply(this, arguments) || this;
|
|
20
|
+
}
|
|
21
|
+
ModelExportUI.prototype.defaultState = function () {
|
|
22
|
+
return {
|
|
23
|
+
header: 'Export Models',
|
|
24
|
+
isCollapsed: true,
|
|
25
|
+
brand: { accent: 'cyan', svg: GetAppSvg }
|
|
26
|
+
};
|
|
27
|
+
};
|
|
28
|
+
ModelExportUI.prototype.renderControls = function () {
|
|
29
|
+
return _jsx(ExportControls, { plugin: this.plugin }, void 0);
|
|
30
|
+
};
|
|
31
|
+
return ModelExportUI;
|
|
32
|
+
}(CollapsableControls));
|
|
33
|
+
export { ModelExportUI };
|
|
34
|
+
var Params = {
|
|
35
|
+
format: PD.Select('cif', [['cif', 'mmCIF'], ['bcif', 'Binary mmCIF']])
|
|
36
|
+
};
|
|
37
|
+
var DefaultParams = PD.getDefaultValues(Params);
|
|
38
|
+
function ExportControls(_a) {
|
|
39
|
+
var _this = this;
|
|
40
|
+
var plugin = _a.plugin;
|
|
41
|
+
var _b = useState(DefaultParams), params = _b[0], setParams = _b[1];
|
|
42
|
+
var _c = useState(false), exporting = _c[0], setExporting = _c[1];
|
|
43
|
+
useBehavior(plugin.managers.structure.hierarchy.behaviors.selection); // triggers UI update
|
|
44
|
+
var isBusy = useBehavior(plugin.behaviors.state.isBusy);
|
|
45
|
+
var hierarchy = plugin.managers.structure.hierarchy.current;
|
|
46
|
+
var label = 'Nothing to Export';
|
|
47
|
+
if (hierarchy.structures.length === 1) {
|
|
48
|
+
label = 'Export';
|
|
49
|
+
}
|
|
50
|
+
if (hierarchy.structures.length > 1) {
|
|
51
|
+
label = 'Export (as ZIP)';
|
|
52
|
+
}
|
|
53
|
+
var onExport = function () { return __awaiter(_this, void 0, void 0, function () {
|
|
54
|
+
return __generator(this, function (_a) {
|
|
55
|
+
switch (_a.label) {
|
|
56
|
+
case 0:
|
|
57
|
+
setExporting(true);
|
|
58
|
+
_a.label = 1;
|
|
59
|
+
case 1:
|
|
60
|
+
_a.trys.push([1, , 3, 4]);
|
|
61
|
+
return [4 /*yield*/, exportHierarchy(plugin, { format: params.format })];
|
|
62
|
+
case 2:
|
|
63
|
+
_a.sent();
|
|
64
|
+
return [3 /*break*/, 4];
|
|
65
|
+
case 3:
|
|
66
|
+
setExporting(false);
|
|
67
|
+
return [7 /*endfinally*/];
|
|
68
|
+
case 4: return [2 /*return*/];
|
|
69
|
+
}
|
|
70
|
+
});
|
|
71
|
+
}); };
|
|
72
|
+
return _jsxs(_Fragment, { children: [_jsx(ParameterControls, { params: Params, values: params, onChangeValues: setParams, isDisabled: isBusy || exporting }, void 0), _jsx(Button, __assign({ onClick: onExport, style: { marginTop: 1 }, disabled: isBusy || hierarchy.structures.length === 0 || exporting, commit: hierarchy.structures.length ? 'on' : 'off' }, { children: label }), void 0)] }, void 0);
|
|
73
|
+
}
|
|
74
|
+
//# sourceMappingURL=ui.js.map
|
|
@@ -64,7 +64,7 @@ export function encodeMp4Animation(plugin, ctx, params) {
|
|
|
64
64
|
_d.label = 6;
|
|
65
65
|
case 6:
|
|
66
66
|
if (!(i <= N)) return [3 /*break*/, 10];
|
|
67
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-
return [4 /*yield*/, loop.tick(i * dt, { isSynchronous: true, manualDraw: true })];
|
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67
|
+
return [4 /*yield*/, loop.tick(i * dt, { isSynchronous: true, animation: { currentFrame: i, frameCount: N }, manualDraw: true })];
|
|
68
68
|
case 7:
|
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69
69
|
_d.sent();
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70
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|
image = params.pass.getImageData(width, height, normalizedViewport);
|
|
@@ -33,6 +33,10 @@ declare const AssemblySymmetry3D: StateTransformer<PluginStateObject.Molecule.St
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33
33
|
roughness: number;
|
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34
34
|
bumpiness: number;
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|
35
35
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}>;
|
|
36
|
+
clip: PD.Normalize<{
|
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37
|
+
variant: any;
|
|
38
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+
objects: any;
|
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39
|
+
}>;
|
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36
40
|
axesColor: PD.NamedParams<PD.Normalize<{
|
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37
41
|
colorValue: any;
|
|
38
42
|
}>, "uniform"> | PD.NamedParams<PD.Normalize<unknown>, "byOrder">;
|
|
@@ -41,9 +45,9 @@ export declare const AssemblySymmetryPresetParams: {
|
|
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41
45
|
ignoreHydrogens: PD.Base<boolean | undefined>;
|
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42
46
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quality: PD.Base<"auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest" | undefined>;
|
|
43
47
|
theme: PD.Base<PD.Normalize<{
|
|
44
|
-
globalName: "uniform" | "occupancy" | "element-index" | "element-symbol" | "shape-group" | "uncertainty" | "carbohydrate-symbol" | "chain-id" | "operator-name" | "molecule-type" | "polymer-id" | "polymer-index" | "residue-name" | "secondary-structure" | "sequence-id" | "unit-index" | "entity-source" | "illustrative" | "hydrophobicity" | "model-index" | "operator-hkl" | "partial-charge" | "atom-id" | "
|
|
48
|
+
globalName: "uniform" | "occupancy" | "element-index" | "element-symbol" | "shape-group" | "uncertainty" | "carbohydrate-symbol" | "chain-id" | "operator-name" | "molecule-type" | "polymer-id" | "polymer-index" | "residue-name" | "secondary-structure" | "sequence-id" | "unit-index" | "entity-source" | "entity-id" | "illustrative" | "hydrophobicity" | "model-index" | "operator-hkl" | "partial-charge" | "atom-id" | "volume-value" | undefined;
|
|
45
49
|
carbonColor: "element-symbol" | "chain-id" | "operator-name" | undefined;
|
|
46
|
-
symmetryColor: "uniform" | "occupancy" | "element-index" | "element-symbol" | "shape-group" | "uncertainty" | "carbohydrate-symbol" | "chain-id" | "operator-name" | "molecule-type" | "polymer-id" | "polymer-index" | "residue-name" | "secondary-structure" | "sequence-id" | "unit-index" | "entity-source" | "illustrative" | "hydrophobicity" | "model-index" | "operator-hkl" | "partial-charge" | "atom-id" | "
|
|
50
|
+
symmetryColor: "uniform" | "occupancy" | "element-index" | "element-symbol" | "shape-group" | "uncertainty" | "carbohydrate-symbol" | "chain-id" | "operator-name" | "molecule-type" | "polymer-id" | "polymer-index" | "residue-name" | "secondary-structure" | "sequence-id" | "unit-index" | "entity-source" | "entity-id" | "illustrative" | "hydrophobicity" | "model-index" | "operator-hkl" | "partial-charge" | "atom-id" | "volume-value" | undefined;
|
|
47
51
|
focus: PD.Normalize<{
|
|
48
52
|
name: any;
|
|
49
53
|
params: any;
|
|
@@ -25,6 +25,16 @@ export declare const AssemblySymmetryParams: {
|
|
|
25
25
|
roughness: number;
|
|
26
26
|
bumpiness: number;
|
|
27
27
|
}>>;
|
|
28
|
+
clip: PD.Group<PD.Normalize<{
|
|
29
|
+
variant: import("../../../mol-util/clip").Clip.Variant;
|
|
30
|
+
objects: PD.Normalize<{
|
|
31
|
+
type: any;
|
|
32
|
+
invert: any;
|
|
33
|
+
position: any;
|
|
34
|
+
rotation: any;
|
|
35
|
+
scale: any;
|
|
36
|
+
}>[];
|
|
37
|
+
}>>;
|
|
28
38
|
axesColor: PD.Mapped<PD.NamedParams<PD.Normalize<{
|
|
29
39
|
colorValue: Color;
|
|
30
40
|
}>, "uniform"> | PD.NamedParams<PD.Normalize<unknown>, "byOrder">>;
|
|
@@ -10844,11 +10844,11 @@ export declare type RcsbUniprotAlignments = {
|
|
|
10844
10844
|
};
|
|
10845
10845
|
export declare type RcsbUniprotAlignmentsCoreEntityAlignments = {
|
|
10846
10846
|
/** Aligned region */
|
|
10847
|
-
readonly aligned_regions
|
|
10847
|
+
readonly aligned_regions: ReadonlyArray<Maybe<CoreEntityAlignmentsAlignedRegions>>;
|
|
10848
10848
|
/** core_entity identifiers */
|
|
10849
10849
|
readonly core_entity_identifiers?: Maybe<CoreEntityAlignmentsCoreEntityIdentifiers>;
|
|
10850
10850
|
/** Alignment scores */
|
|
10851
|
-
readonly scores
|
|
10851
|
+
readonly scores: CoreEntityAlignmentsScores;
|
|
10852
10852
|
};
|
|
10853
10853
|
export declare type RcsbUniprotAnnotation = {
|
|
10854
10854
|
/** An identifier for the annotation. */
|
|
@@ -40,6 +40,16 @@ export declare const IntraUnitClashParams: {
|
|
|
40
40
|
roughness: number;
|
|
41
41
|
bumpiness: number;
|
|
42
42
|
}>>;
|
|
43
|
+
clip: PD.Group<PD.Normalize<{
|
|
44
|
+
variant: import("../../../mol-util/clip").Clip.Variant;
|
|
45
|
+
objects: PD.Normalize<{
|
|
46
|
+
type: any;
|
|
47
|
+
invert: any;
|
|
48
|
+
position: any;
|
|
49
|
+
rotation: any;
|
|
50
|
+
scale: any;
|
|
51
|
+
}>[];
|
|
52
|
+
}>>;
|
|
43
53
|
};
|
|
44
54
|
export declare type IntraUnitClashParams = typeof IntraUnitClashParams;
|
|
45
55
|
export declare function IntraUnitClashVisual(materialId: number): UnitsVisual<IntraUnitClashParams>;
|
|
@@ -72,6 +82,16 @@ export declare const InterUnitClashParams: {
|
|
|
72
82
|
roughness: number;
|
|
73
83
|
bumpiness: number;
|
|
74
84
|
}>>;
|
|
85
|
+
clip: PD.Group<PD.Normalize<{
|
|
86
|
+
variant: import("../../../mol-util/clip").Clip.Variant;
|
|
87
|
+
objects: PD.Normalize<{
|
|
88
|
+
type: any;
|
|
89
|
+
invert: any;
|
|
90
|
+
position: any;
|
|
91
|
+
rotation: any;
|
|
92
|
+
scale: any;
|
|
93
|
+
}>[];
|
|
94
|
+
}>>;
|
|
75
95
|
};
|
|
76
96
|
export declare type InterUnitClashParams = typeof InterUnitClashParams;
|
|
77
97
|
export declare function InterUnitClashVisual(materialId: number): ComplexVisual<InterUnitClashParams>;
|
|
@@ -105,6 +125,16 @@ export declare const ClashesParams: {
|
|
|
105
125
|
roughness: number;
|
|
106
126
|
bumpiness: number;
|
|
107
127
|
}>>;
|
|
128
|
+
clip: PD.Group<PD.Normalize<{
|
|
129
|
+
variant: import("../../../mol-util/clip").Clip.Variant;
|
|
130
|
+
objects: PD.Normalize<{
|
|
131
|
+
type: any;
|
|
132
|
+
invert: any;
|
|
133
|
+
position: any;
|
|
134
|
+
rotation: any;
|
|
135
|
+
scale: any;
|
|
136
|
+
}>[];
|
|
137
|
+
}>>;
|
|
108
138
|
};
|
|
109
139
|
export declare type ClashesParams = typeof ClashesParams;
|
|
110
140
|
export declare function getClashesParams(ctx: ThemeRegistryContext, structure: Structure): {
|
|
@@ -137,6 +167,16 @@ export declare function getClashesParams(ctx: ThemeRegistryContext, structure: S
|
|
|
137
167
|
roughness: number;
|
|
138
168
|
bumpiness: number;
|
|
139
169
|
}>>;
|
|
170
|
+
clip: PD.Group<PD.Normalize<{
|
|
171
|
+
variant: import("../../../mol-util/clip").Clip.Variant;
|
|
172
|
+
objects: PD.Normalize<{
|
|
173
|
+
type: any;
|
|
174
|
+
invert: any;
|
|
175
|
+
position: any;
|
|
176
|
+
rotation: any;
|
|
177
|
+
scale: any;
|
|
178
|
+
}>[];
|
|
179
|
+
}>>;
|
|
140
180
|
};
|
|
141
181
|
export declare type ClashesRepresentation = StructureRepresentation<ClashesParams>;
|
|
142
182
|
export declare function ClashesRepresentation(ctx: RepresentationContext, getParams: RepresentationParamsGetter<Structure, ClashesParams>): ClashesRepresentation;
|
|
@@ -170,4 +210,14 @@ export declare const ClashesRepresentationProvider: StructureRepresentationProvi
|
|
|
170
210
|
roughness: number;
|
|
171
211
|
bumpiness: number;
|
|
172
212
|
}>>;
|
|
213
|
+
clip: PD.Group<PD.Normalize<{
|
|
214
|
+
variant: import("../../../mol-util/clip").Clip.Variant;
|
|
215
|
+
objects: PD.Normalize<{
|
|
216
|
+
type: any;
|
|
217
|
+
invert: any;
|
|
218
|
+
position: any;
|
|
219
|
+
rotation: any;
|
|
220
|
+
scale: any;
|
|
221
|
+
}>[];
|
|
222
|
+
}>>;
|
|
173
223
|
}, ValidationReport.Tag.Clashes>;
|