molstar 3.2.0 → 3.4.0
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/LICENSE +20 -20
- package/README.md +197 -194
- package/build/viewer/embedded.html +43 -43
- package/build/viewer/index.html +106 -106
- package/build/viewer/molstar.css +1 -1
- package/build/viewer/molstar.js +1 -1
- package/lib/apps/docking-viewer/index.html +36 -36
- package/lib/apps/docking-viewer/index.js +0 -1
- package/lib/apps/docking-viewer/viewport.js +6 -6
- package/lib/apps/viewer/app.d.ts +7 -6
- package/lib/apps/viewer/app.js +2 -1
- package/lib/apps/viewer/embedded.html +43 -43
- package/lib/apps/viewer/index.html +106 -106
- package/lib/apps/viewer/index.js +0 -1
- package/lib/cli/chem-comp-dict/create-ions.js +0 -1
- package/lib/cli/chem-comp-dict/create-saccharides.d.ts +7 -0
- package/lib/cli/chem-comp-dict/create-saccharides.js +67 -0
- package/lib/cli/chem-comp-dict/create-table.js +0 -1
- package/lib/cli/chem-comp-dict/util.js +0 -1
- package/lib/cli/cif2bcif/converter.js +0 -1
- package/lib/cli/cif2bcif/index.js +0 -1
- package/lib/cli/cifschema/index.js +0 -1
- package/lib/cli/cifschema/util/cif-dic.js +0 -1
- package/lib/cli/cifschema/util/generate.js +0 -1
- package/lib/cli/cifschema/util/helper.js +0 -1
- package/lib/cli/cifschema/util/schema.js +0 -1
- package/lib/cli/lipid-params/index.js +0 -1
- package/lib/cli/state-docs/index.js +0 -1
- package/lib/cli/state-docs/pd-to-md.js +0 -1
- package/lib/cli/structure-info/helpers.js +0 -1
- package/lib/cli/structure-info/model.js +0 -1
- package/lib/cli/structure-info/volume.js +0 -1
- package/lib/commonjs/apps/docking-viewer/index.js +12 -13
- package/lib/commonjs/apps/docking-viewer/viewport.js +38 -38
- package/lib/commonjs/apps/viewer/app.d.ts +7 -6
- package/lib/commonjs/apps/viewer/app.js +24 -23
- package/lib/commonjs/apps/viewer/index.js +1 -2
- package/lib/commonjs/cli/chem-comp-dict/create-ions.js +6 -7
- package/lib/commonjs/cli/chem-comp-dict/create-saccharides.d.ts +7 -0
- package/lib/commonjs/cli/chem-comp-dict/create-saccharides.js +69 -0
- package/lib/commonjs/cli/chem-comp-dict/create-table.js +8 -9
- package/lib/commonjs/cli/chem-comp-dict/util.js +17 -18
- package/lib/commonjs/cli/cif2bcif/converter.js +9 -10
- package/lib/commonjs/cli/cif2bcif/index.js +8 -9
- package/lib/commonjs/cli/cifschema/index.js +27 -28
- package/lib/commonjs/cli/cifschema/util/cif-dic.js +1 -2
- package/lib/commonjs/cli/cifschema/util/generate.js +0 -1
- package/lib/commonjs/cli/cifschema/util/helper.js +0 -1
- package/lib/commonjs/cli/cifschema/util/schema.js +0 -1
- package/lib/commonjs/cli/lipid-params/index.js +9 -10
- package/lib/commonjs/cli/state-docs/index.js +2 -3
- package/lib/commonjs/cli/state-docs/pd-to-md.js +0 -1
- package/lib/commonjs/cli/structure-info/helpers.js +11 -12
- package/lib/commonjs/cli/structure-info/model.js +15 -16
- package/lib/commonjs/cli/structure-info/volume.js +9 -10
- package/lib/commonjs/examples/alpha-orbitals/controls.js +3 -4
- package/lib/commonjs/examples/alpha-orbitals/example-data.js +0 -1
- package/lib/commonjs/examples/alpha-orbitals/index.js +11 -12
- package/lib/commonjs/examples/basic-wrapper/coloring.js +0 -1
- package/lib/commonjs/examples/basic-wrapper/controls.js +2 -3
- package/lib/commonjs/examples/basic-wrapper/custom-theme.js +0 -1
- package/lib/commonjs/examples/basic-wrapper/index.js +22 -23
- package/lib/commonjs/examples/basic-wrapper/superposition.js +8 -9
- package/lib/commonjs/examples/domain-annotation-server/mapping.js +3 -4
- package/lib/commonjs/examples/domain-annotation-server/schemas.js +0 -1
- package/lib/commonjs/examples/domain-annotation-server/server.js +6 -7
- package/lib/commonjs/examples/domain-annotation-server/test.js +3 -4
- package/lib/commonjs/examples/lighting/index.js +8 -9
- package/lib/commonjs/examples/proteopedia-wrapper/annotation.js +2 -3
- package/lib/commonjs/examples/proteopedia-wrapper/coloring.js +0 -1
- package/lib/commonjs/examples/proteopedia-wrapper/helpers.js +4 -5
- package/lib/commonjs/examples/proteopedia-wrapper/index.js +26 -27
- package/lib/commonjs/examples/proteopedia-wrapper/ui/controls.js +2 -3
- package/lib/commonjs/examples/task.js +15 -16
- package/lib/commonjs/extensions/alpha-orbitals/collocation.js +2 -3
- package/lib/commonjs/extensions/alpha-orbitals/data-model.js +1 -2
- package/lib/commonjs/extensions/alpha-orbitals/density.js +2 -3
- package/lib/commonjs/extensions/alpha-orbitals/gpu/compute.js +2 -3
- package/lib/commonjs/extensions/alpha-orbitals/gpu/shader.frag.js +0 -1
- package/lib/commonjs/extensions/alpha-orbitals/orbitals.js +2 -3
- package/lib/commonjs/extensions/alpha-orbitals/spherical-functions.js +0 -1
- package/lib/commonjs/extensions/alpha-orbitals/transforms.js +13 -14
- package/lib/commonjs/extensions/anvil/algorithm.js +13 -14
- package/lib/commonjs/extensions/anvil/behavior.js +14 -15
- package/lib/commonjs/extensions/anvil/prop.js +7 -8
- package/lib/commonjs/extensions/anvil/representation.js +5 -6
- package/lib/commonjs/extensions/cellpack/color/generate.js +0 -1
- package/lib/commonjs/extensions/cellpack/color/provided.js +0 -1
- package/lib/commonjs/extensions/cellpack/curve.js +0 -1
- package/lib/commonjs/extensions/cellpack/data.js +0 -1
- package/lib/commonjs/extensions/cellpack/index.js +1 -2
- package/lib/commonjs/extensions/cellpack/model.js +26 -25
- package/lib/commonjs/extensions/cellpack/preset.js +6 -7
- package/lib/commonjs/extensions/cellpack/property.js +3 -4
- package/lib/commonjs/extensions/cellpack/representation.js +2 -3
- package/lib/commonjs/extensions/cellpack/state.js +13 -14
- package/lib/commonjs/extensions/cellpack/util.js +14 -15
- package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.js +7 -8
- package/lib/commonjs/extensions/dnatco/confal-pyramids/color.js +0 -1
- package/lib/commonjs/extensions/dnatco/confal-pyramids/property.js +5 -6
- package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.js +2 -3
- package/lib/commonjs/extensions/dnatco/confal-pyramids/types.js +0 -1
- package/lib/commonjs/extensions/dnatco/confal-pyramids/util.js +1 -2
- package/lib/commonjs/extensions/dnatco/index.js +0 -1
- package/lib/commonjs/extensions/g3d/data.js +6 -7
- package/lib/commonjs/extensions/g3d/format.js +14 -15
- package/lib/commonjs/extensions/g3d/model.js +4 -5
- package/lib/commonjs/extensions/geo-export/controls.js +3 -4
- package/lib/commonjs/extensions/geo-export/glb-exporter.js +9 -10
- package/lib/commonjs/extensions/geo-export/index.js +1 -2
- package/lib/commonjs/extensions/geo-export/mesh-exporter.js +12 -13
- package/lib/commonjs/extensions/geo-export/obj-exporter.js +7 -8
- package/lib/commonjs/extensions/geo-export/render-object-exporter.js +0 -1
- package/lib/commonjs/extensions/geo-export/stl-exporter.js +7 -8
- package/lib/commonjs/extensions/geo-export/ui.js +7 -8
- package/lib/commonjs/extensions/geo-export/usdz-exporter.js +9 -10
- package/lib/commonjs/extensions/model-archive/quality-assessment/behavior.js +9 -10
- package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.js +4 -5
- package/lib/commonjs/extensions/model-archive/quality-assessment/color/qmean.js +4 -5
- package/lib/commonjs/extensions/model-archive/quality-assessment/prop.js +5 -6
- package/lib/commonjs/extensions/model-export/export.js +4 -5
- package/lib/commonjs/extensions/model-export/index.js +1 -2
- package/lib/commonjs/extensions/model-export/ui.js +5 -6
- package/lib/commonjs/extensions/mp4-export/controls.js +5 -6
- package/lib/commonjs/extensions/mp4-export/encoder.js +4 -5
- package/lib/commonjs/extensions/mp4-export/index.js +1 -2
- package/lib/commonjs/extensions/mp4-export/ui.js +5 -6
- package/lib/commonjs/extensions/pdbe/index.js +0 -1
- package/lib/commonjs/extensions/pdbe/preferred-assembly.js +2 -3
- package/lib/commonjs/extensions/pdbe/struct-ref-domain.js +2 -3
- package/lib/commonjs/extensions/pdbe/structure-quality-report/behavior.js +1 -2
- package/lib/commonjs/extensions/pdbe/structure-quality-report/color.js +0 -1
- package/lib/commonjs/extensions/pdbe/structure-quality-report/prop.js +8 -9
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.js +17 -18
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js +2 -3
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/prop.js +9 -10
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.js +6 -7
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/ui.js +9 -10
- package/lib/commonjs/extensions/rcsb/graphql/symmetry.gql.js +0 -1
- package/lib/commonjs/extensions/rcsb/graphql/types.d.ts +158 -1
- package/lib/commonjs/extensions/rcsb/graphql/types.js +0 -1
- package/lib/commonjs/extensions/rcsb/index.js +0 -1
- package/lib/commonjs/extensions/rcsb/validation-report/behavior.js +17 -18
- package/lib/commonjs/extensions/rcsb/validation-report/color/density-fit.js +0 -1
- package/lib/commonjs/extensions/rcsb/validation-report/color/geometry-quality.js +0 -1
- package/lib/commonjs/extensions/rcsb/validation-report/color/random-coil-index.js +0 -1
- package/lib/commonjs/extensions/rcsb/validation-report/prop.js +15 -16
- package/lib/commonjs/extensions/rcsb/validation-report/representation.js +22 -6
- package/lib/commonjs/extensions/zenodo/index.d.ts +7 -0
- package/lib/commonjs/extensions/zenodo/index.js +35 -0
- package/lib/commonjs/extensions/zenodo/ui.d.ts +61 -0
- package/lib/commonjs/extensions/zenodo/ui.js +306 -0
- package/lib/commonjs/mol-canvas3d/camera/stereo.js +1 -2
- package/lib/commonjs/mol-canvas3d/camera/transition.js +0 -1
- package/lib/commonjs/mol-canvas3d/camera/util.js +1 -2
- package/lib/commonjs/mol-canvas3d/camera.js +2 -2
- package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +3 -1
- package/lib/commonjs/mol-canvas3d/canvas3d.js +46 -39
- package/lib/commonjs/mol-canvas3d/controls/object.js +0 -1
- package/lib/commonjs/mol-canvas3d/controls/trackball.js +1 -2
- package/lib/commonjs/mol-canvas3d/helper/bounding-sphere-helper.js +1 -2
- package/lib/commonjs/mol-canvas3d/helper/camera-helper.js +5 -6
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.js +5 -6
- package/lib/commonjs/mol-canvas3d/helper/helper.js +1 -2
- package/lib/commonjs/mol-canvas3d/helper/interaction-events.js +2 -3
- package/lib/commonjs/mol-canvas3d/passes/draw.js +15 -13
- package/lib/commonjs/mol-canvas3d/passes/fxaa.js +3 -4
- package/lib/commonjs/mol-canvas3d/passes/image.d.ts +1 -0
- package/lib/commonjs/mol-canvas3d/passes/image.js +1 -2
- package/lib/commonjs/mol-canvas3d/passes/marking.js +6 -7
- package/lib/commonjs/mol-canvas3d/passes/multi-sample.d.ts +1 -1
- package/lib/commonjs/mol-canvas3d/passes/multi-sample.js +23 -10
- package/lib/commonjs/mol-canvas3d/passes/passes.js +0 -1
- package/lib/commonjs/mol-canvas3d/passes/pick.js +0 -1
- package/lib/commonjs/mol-canvas3d/passes/postprocessing.d.ts +8 -1
- package/lib/commonjs/mol-canvas3d/passes/postprocessing.js +60 -31
- package/lib/commonjs/mol-canvas3d/passes/smaa.js +9 -10
- package/lib/commonjs/mol-canvas3d/passes/wboit.js +3 -4
- package/lib/commonjs/mol-canvas3d/util.js +2 -3
- package/lib/commonjs/mol-data/db/column-helpers.js +0 -1
- package/lib/commonjs/mol-data/db/column.js +2 -3
- package/lib/commonjs/mol-data/db/database.js +0 -1
- package/lib/commonjs/mol-data/db/table.js +1 -2
- package/lib/commonjs/mol-data/db.js +1 -2
- package/lib/commonjs/mol-data/generic/hash-set.js +0 -1
- package/lib/commonjs/mol-data/generic/linked-list.js +0 -1
- package/lib/commonjs/mol-data/generic/unique-array.js +0 -1
- package/lib/commonjs/mol-data/generic.js +3 -4
- package/lib/commonjs/mol-data/index.js +4 -5
- package/lib/commonjs/mol-data/int/impl/interval.js +0 -1
- package/lib/commonjs/mol-data/int/impl/ordered-set.js +0 -1
- package/lib/commonjs/mol-data/int/impl/segmentation.js +0 -1
- package/lib/commonjs/mol-data/int/impl/sorted-array.js +0 -1
- package/lib/commonjs/mol-data/int/interval.js +1 -2
- package/lib/commonjs/mol-data/int/linked-index.js +0 -1
- package/lib/commonjs/mol-data/int/map.js +0 -1
- package/lib/commonjs/mol-data/int/ordered-set.js +1 -2
- package/lib/commonjs/mol-data/int/segmentation.js +1 -2
- package/lib/commonjs/mol-data/int/sorted-array.js +1 -2
- package/lib/commonjs/mol-data/int/sorted-ranges.js +0 -1
- package/lib/commonjs/mol-data/int/tuple.js +0 -1
- package/lib/commonjs/mol-data/int.js +0 -1
- package/lib/commonjs/mol-data/iterator.js +0 -1
- package/lib/commonjs/mol-data/util/array.js +0 -1
- package/lib/commonjs/mol-data/util/buckets.js +0 -1
- package/lib/commonjs/mol-data/util/chunked-array.js +0 -1
- package/lib/commonjs/mol-data/util/combination.js +0 -1
- package/lib/commonjs/mol-data/util/equivalence-classes.js +0 -1
- package/lib/commonjs/mol-data/util/grouping.js +0 -1
- package/lib/commonjs/mol-data/util/hash-functions.js +0 -1
- package/lib/commonjs/mol-data/util/interval-iterator.js +0 -1
- package/lib/commonjs/mol-data/util/sort.js +0 -1
- package/lib/commonjs/mol-data/util.js +7 -8
- package/lib/commonjs/mol-geo/geometry/base.js +0 -1
- package/lib/commonjs/mol-geo/geometry/clipping-data.js +0 -1
- package/lib/commonjs/mol-geo/geometry/color-data.js +0 -1
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders-builder.js +0 -1
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +2 -2
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.js +3 -4
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +3 -4
- package/lib/commonjs/mol-geo/geometry/direct-volume/transfer-function.js +1 -2
- package/lib/commonjs/mol-geo/geometry/geometry.js +0 -1
- package/lib/commonjs/mol-geo/geometry/image/image.js +3 -4
- package/lib/commonjs/mol-geo/geometry/lines/lines-builder.js +0 -1
- package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +2 -1
- package/lib/commonjs/mol-geo/geometry/lines/lines.js +4 -5
- package/lib/commonjs/mol-geo/geometry/marker-data.js +0 -1
- package/lib/commonjs/mol-geo/geometry/mesh/builder/axes.js +0 -1
- package/lib/commonjs/mol-geo/geometry/mesh/builder/box.js +0 -1
- package/lib/commonjs/mol-geo/geometry/mesh/builder/cylinder.js +0 -1
- package/lib/commonjs/mol-geo/geometry/mesh/builder/ellipsoid.js +0 -1
- package/lib/commonjs/mol-geo/geometry/mesh/builder/ribbon.js +0 -1
- package/lib/commonjs/mol-geo/geometry/mesh/builder/sheet.js +0 -1
- package/lib/commonjs/mol-geo/geometry/mesh/builder/sphere.js +0 -1
- package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.js +0 -1
- package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.js +0 -1
- package/lib/commonjs/mol-geo/geometry/mesh/laplacian-smoothing.js +0 -1
- package/lib/commonjs/mol-geo/geometry/mesh/mesh-builder.js +0 -1
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +3 -4
- package/lib/commonjs/mol-geo/geometry/overpaint-data.js +0 -1
- package/lib/commonjs/mol-geo/geometry/picking.js +0 -1
- package/lib/commonjs/mol-geo/geometry/points/points-builder.js +0 -1
- package/lib/commonjs/mol-geo/geometry/points/points.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/points/points.js +3 -4
- package/lib/commonjs/mol-geo/geometry/size-data.js +1 -2
- package/lib/commonjs/mol-geo/geometry/spheres/spheres-builder.js +0 -1
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.js +3 -4
- package/lib/commonjs/mol-geo/geometry/substance-data.js +0 -1
- package/lib/commonjs/mol-geo/geometry/text/font-atlas.js +1 -2
- package/lib/commonjs/mol-geo/geometry/text/text-builder.js +3 -3
- package/lib/commonjs/mol-geo/geometry/text/text.js +3 -4
- package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js +4 -5
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +3 -4
- package/lib/commonjs/mol-geo/geometry/transform-data.js +0 -1
- package/lib/commonjs/mol-geo/geometry/transparency-data.js +0 -1
- package/lib/commonjs/mol-geo/primitive/box.js +0 -1
- package/lib/commonjs/mol-geo/primitive/cage.js +0 -1
- package/lib/commonjs/mol-geo/primitive/circle.js +1 -2
- package/lib/commonjs/mol-geo/primitive/cylinder.js +1 -2
- package/lib/commonjs/mol-geo/primitive/dodecahedron.js +0 -1
- package/lib/commonjs/mol-geo/primitive/icosahedron.js +0 -1
- package/lib/commonjs/mol-geo/primitive/octahedron.js +0 -1
- package/lib/commonjs/mol-geo/primitive/plane.js +0 -1
- package/lib/commonjs/mol-geo/primitive/polygon.js +0 -1
- package/lib/commonjs/mol-geo/primitive/polyhedron.js +1 -2
- package/lib/commonjs/mol-geo/primitive/primitive.js +0 -1
- package/lib/commonjs/mol-geo/primitive/prism.js +1 -2
- package/lib/commonjs/mol-geo/primitive/pyramid.js +0 -1
- package/lib/commonjs/mol-geo/primitive/sphere.js +0 -1
- package/lib/commonjs/mol-geo/primitive/spiked-ball.js +0 -1
- package/lib/commonjs/mol-geo/primitive/star.js +1 -2
- package/lib/commonjs/mol-geo/primitive/tetrahedron.js +0 -1
- package/lib/commonjs/mol-geo/primitive/torus.js +1 -2
- package/lib/commonjs/mol-geo/primitive/wedge.js +0 -1
- package/lib/commonjs/mol-geo/util/location-iterator.js +0 -1
- package/lib/commonjs/mol-geo/util/marching-cubes/algorithm.js +9 -10
- package/lib/commonjs/mol-geo/util/marching-cubes/builder.js +0 -1
- package/lib/commonjs/mol-geo/util/marching-cubes/tables.js +0 -1
- package/lib/commonjs/mol-geo/util.js +0 -1
- package/lib/commonjs/mol-gl/commit-queue.js +0 -1
- package/lib/commonjs/mol-gl/compute/grid3d.js +5 -6
- package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js +3 -4
- package/lib/commonjs/mol-gl/compute/histogram-pyramid/sum.js +3 -4
- package/lib/commonjs/mol-gl/compute/marching-cubes/active-voxels.js +3 -4
- package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.js +3 -4
- package/lib/commonjs/mol-gl/compute/marching-cubes/tables.js +0 -1
- package/lib/commonjs/mol-gl/compute/util.js +3 -4
- package/lib/commonjs/mol-gl/object3d.js +0 -1
- package/lib/commonjs/mol-gl/render-object.js +0 -1
- package/lib/commonjs/mol-gl/renderable/cylinders.js +3 -4
- package/lib/commonjs/mol-gl/renderable/direct-volume.js +3 -4
- package/lib/commonjs/mol-gl/renderable/image.js +3 -4
- package/lib/commonjs/mol-gl/renderable/lines.js +3 -4
- package/lib/commonjs/mol-gl/renderable/mesh.js +3 -4
- package/lib/commonjs/mol-gl/renderable/points.js +3 -4
- package/lib/commonjs/mol-gl/renderable/schema.js +1 -2
- package/lib/commonjs/mol-gl/renderable/spheres.js +3 -4
- package/lib/commonjs/mol-gl/renderable/text.js +3 -4
- package/lib/commonjs/mol-gl/renderable/texture-mesh.js +3 -4
- package/lib/commonjs/mol-gl/renderable/util.js +1 -2
- package/lib/commonjs/mol-gl/renderable.js +0 -1
- package/lib/commonjs/mol-gl/renderer.js +3 -5
- package/lib/commonjs/mol-gl/scene.d.ts +2 -1
- package/lib/commonjs/mol-gl/scene.js +14 -3
- package/lib/commonjs/mol-gl/shader/chunks/apply-fog.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/apply-interior-color.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/apply-light-color.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/apply-marker-color.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-clipping-varying.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-group.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-marker-varying.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-position.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-size.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/check-picking-alpha.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/clip-instance.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/clip-pixel.glsl.js +0 -1
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getLoci = function (s) { return
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|
|
@@ -637,7 +637,7 @@ exports.StructureComponentManager = StructureComponentManager;
|
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function getAddParams(plugin, params) {
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|
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params =
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params = tslib_1.__assign({ pivot: plugin.managers.structure.component.pivotStructure, allowNone: true, hideSelection: false, checkExisting: false }, params);
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|
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|
|
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|
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|
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|
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|
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|
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|
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|
|
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|
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|
|
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|
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//# sourceMappingURL=component.js.map
|
|
@@ -19,7 +19,7 @@ var linear_algebra_1 = require("../../../mol-math/linear-algebra");
|
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|
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|
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|
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|
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|
|
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|
+
tslib_1.__extends(StructureFocusManager, _super);
|
|
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|
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|
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|
|
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|
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|
|
@@ -65,7 +65,7 @@ var StructureFocusManager = /** @class */ (function (_super) {
|
|
|
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|
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|
|
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|
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|
|
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|
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|
|
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|
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|
|
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|
+
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|
|
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|
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|
|
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|
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|
|
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|
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|
|
@@ -173,4 +173,3 @@ var StructureFocusManager = /** @class */ (function (_super) {
|
|
|
173
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|
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|
|
174
174
|
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|
|
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|
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|
|
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|
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//# sourceMappingURL=focus.js.map
|
|
@@ -50,7 +50,7 @@ function StructureVolumeStreamingRef(cell, structure) {
|
|
|
50
50
|
function componentKey(cell) {
|
|
51
51
|
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|
|
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|
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|
|
53
|
-
return
|
|
53
|
+
return tslib_1.__spreadArray([], cell.transform.tags, true).sort().join();
|
|
54
54
|
}
|
|
55
55
|
function StructureComponentRef(cell, structure) {
|
|
56
56
|
return { kind: 'structure-component', cell: cell, version: cell.transform.version, structure: structure, key: componentKey(cell), representations: [] };
|
|
@@ -253,4 +253,3 @@ function doPreOrder(tree, state) {
|
|
|
253
253
|
_doPreOrder(ctx, tree.root);
|
|
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|
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|
|
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|
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|
|
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|
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//# sourceMappingURL=hierarchy-state.js.map
|
|
@@ -15,7 +15,7 @@ var set_1 = require("../../../mol-util/set");
|
|
|
15
15
|
var component_1 = require("../../component");
|
|
16
16
|
var hierarchy_state_1 = require("./hierarchy-state");
|
|
17
17
|
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|
|
18
|
-
|
|
18
|
+
tslib_1.__extends(StructureHierarchyManager, _super);
|
|
19
19
|
function StructureHierarchyManager(plugin) {
|
|
20
20
|
var _this = _super.call(this) || this;
|
|
21
21
|
_this.plugin = plugin;
|
|
@@ -135,7 +135,7 @@ var StructureHierarchyManager = /** @class */ (function (_super) {
|
|
|
135
135
|
if (this.state.syncedTree === this.dataState.tree) {
|
|
136
136
|
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|
|
137
137
|
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|
|
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|
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|
|
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|
+
this.behaviors.selection.next(tslib_1.__assign({ hierarchy: this.state.hierarchy }, this.state.selection));
|
|
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139
|
}
|
|
140
140
|
return;
|
|
141
141
|
}
|
|
@@ -215,9 +215,9 @@ var StructureHierarchyManager = /** @class */ (function (_super) {
|
|
|
215
215
|
};
|
|
216
216
|
StructureHierarchyManager.prototype.applyPreset = function (trajectories, provider, params) {
|
|
217
217
|
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|
|
218
|
-
return this.plugin.dataTransaction(function () { return
|
|
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|
+
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|
|
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219
|
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|
|
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|
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return
|
|
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|
+
return tslib_1.__generator(this, function (_a) {
|
|
221
221
|
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|
|
222
222
|
case 0:
|
|
223
223
|
_i = 0, trajectories_1 = trajectories;
|
|
@@ -243,13 +243,13 @@ var StructureHierarchyManager = /** @class */ (function (_super) {
|
|
|
243
243
|
}); });
|
|
244
244
|
};
|
|
245
245
|
StructureHierarchyManager.prototype.updateStructure = function (s, params) {
|
|
246
|
-
return
|
|
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|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
247
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|
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|
|
248
|
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return
|
|
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|
+
return tslib_1.__generator(this, function (_a) {
|
|
249
249
|
switch (_a.label) {
|
|
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|
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case 0: return [4 /*yield*/, this.plugin.dataTransaction(function () { return
|
|
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|
+
case 0: return [4 /*yield*/, this.plugin.dataTransaction(function () { return tslib_1.__awaiter(_this, void 0, void 0, function () {
|
|
251
251
|
var root, children;
|
|
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|
-
return
|
|
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|
+
return tslib_1.__generator(this, function (_a) {
|
|
253
253
|
switch (_a.label) {
|
|
254
254
|
case 0:
|
|
255
255
|
root = mol_state_1.StateTree.getDecoratorRoot(this.dataState.tree, s.cell.transform.ref);
|
|
@@ -348,4 +348,3 @@ exports.StructureHierarchyManager = StructureHierarchyManager;
|
|
|
348
348
|
StructureHierarchyManager.getSelectedStructuresDescription = getSelectedStructuresDescription;
|
|
349
349
|
})(StructureHierarchyManager = exports.StructureHierarchyManager || (exports.StructureHierarchyManager = {}));
|
|
350
350
|
exports.StructureHierarchyManager = StructureHierarchyManager;
|
|
351
|
-
//# sourceMappingURL=hierarchy.js.map
|
|
@@ -26,7 +26,7 @@ exports.StructureMeasurementParams = {
|
|
|
26
26
|
};
|
|
27
27
|
var DefaultStructureMeasurementOptions = param_definition_1.ParamDefinition.getDefaultValues(exports.StructureMeasurementParams);
|
|
28
28
|
var StructureMeasurementManager = /** @class */ (function (_super) {
|
|
29
|
-
|
|
29
|
+
tslib_1.__extends(StructureMeasurementManager, _super);
|
|
30
30
|
function StructureMeasurementManager(plugin) {
|
|
31
31
|
var _this = _super.call(this, { labels: [], distances: [], angles: [], dihedrals: [], orientations: [], planes: [], options: DefaultStructureMeasurementOptions }) || this;
|
|
32
32
|
_this.plugin = plugin;
|
|
@@ -57,9 +57,9 @@ var StructureMeasurementManager = /** @class */ (function (_super) {
|
|
|
57
57
|
return builder.toRoot().group(transforms_1.StateTransforms.Misc.CreateGroup, { label: "Measurements" }, { tags: exports.MeasurementGroupTag });
|
|
58
58
|
};
|
|
59
59
|
StructureMeasurementManager.prototype.setOptions = function (options) {
|
|
60
|
-
return
|
|
60
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
61
61
|
var update, _i, _a, cell, _b, _c, cell, _d, _e, cell, _f, _g, cell;
|
|
62
|
-
return
|
|
62
|
+
return tslib_1.__generator(this, function (_h) {
|
|
63
63
|
switch (_h.label) {
|
|
64
64
|
case 0:
|
|
65
65
|
if (this.updateState({ options: options }))
|
|
@@ -95,9 +95,9 @@ var StructureMeasurementManager = /** @class */ (function (_super) {
|
|
|
95
95
|
});
|
|
96
96
|
};
|
|
97
97
|
StructureMeasurementManager.prototype.addDistance = function (a, b, options) {
|
|
98
|
-
return
|
|
98
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
99
99
|
var cellA, cellB, dependsOn, update, state;
|
|
100
|
-
return
|
|
100
|
+
return tslib_1.__generator(this, function (_a) {
|
|
101
101
|
switch (_a.label) {
|
|
102
102
|
case 0:
|
|
103
103
|
cellA = this.plugin.helpers.substructureParent.get(a.structure);
|
|
@@ -116,7 +116,7 @@ var StructureMeasurementManager = /** @class */ (function (_super) {
|
|
|
116
116
|
isTransitive: true,
|
|
117
117
|
label: 'Distance'
|
|
118
118
|
}, { dependsOn: dependsOn, tags: options === null || options === void 0 ? void 0 : options.selectionTags })
|
|
119
|
-
.apply(transforms_1.StateTransforms.Representation.StructureSelectionsDistance3D,
|
|
119
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+
.apply(transforms_1.StateTransforms.Representation.StructureSelectionsDistance3D, tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({ customText: (options === null || options === void 0 ? void 0 : options.customText) || '', unitLabel: this.state.options.distanceUnitLabel, textColor: this.state.options.textColor }, options === null || options === void 0 ? void 0 : options.lineParams), options === null || options === void 0 ? void 0 : options.labelParams), options === null || options === void 0 ? void 0 : options.visualParams), { tags: options === null || options === void 0 ? void 0 : options.reprTags });
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return tslib_1.__awaiter(this, void 0, void 0, function () {
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}, { dependsOn: dependsOn, tags: options === null || options === void 0 ? void 0 : options.selectionTags })
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.apply(transforms_1.StateTransforms.Representation.StructureSelectionsAngle3D,
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.apply(transforms_1.StateTransforms.Representation.StructureSelectionsAngle3D, tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({ customText: (options === null || options === void 0 ? void 0 : options.customText) || '', textColor: this.state.options.textColor }, options === null || options === void 0 ? void 0 : options.lineParams), options === null || options === void 0 ? void 0 : options.labelParams), options === null || options === void 0 ? void 0 : options.visualParams), { tags: options === null || options === void 0 ? void 0 : options.reprTags });
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return tslib_1.__awaiter(this, void 0, void 0, function () {
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return tslib_1.__generator(this, function (_a) {
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label: 'Dihedral'
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.apply(transforms_1.StateTransforms.Representation.StructureSelectionsDihedral3D,
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.apply(transforms_1.StateTransforms.Representation.StructureSelectionsDihedral3D, tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({ customText: (options === null || options === void 0 ? void 0 : options.customText) || '', textColor: this.state.options.textColor }, options === null || options === void 0 ? void 0 : options.lineParams), options === null || options === void 0 ? void 0 : options.labelParams), options === null || options === void 0 ? void 0 : options.visualParams), { tags: options === null || options === void 0 ? void 0 : options.reprTags });
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return tslib_1.__generator(this, function (_a) {
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cellA = this.plugin.helpers.substructureParent.get(a.structure);
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label: 'Label'
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}, { dependsOn: dependsOn, tags: options === null || options === void 0 ? void 0 : options.selectionTags })
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.apply(transforms_1.StateTransforms.Representation.StructureSelectionsLabel3D,
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.apply(transforms_1.StateTransforms.Representation.StructureSelectionsLabel3D, tslib_1.__assign(tslib_1.__assign({ textColor: this.state.options.textColor }, options === null || options === void 0 ? void 0 : options.labelParams), options === null || options === void 0 ? void 0 : options.visualParams), { tags: options === null || options === void 0 ? void 0 : options.reprTags });
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StructureMeasurementManager.prototype.addOrientation = function (locis) {
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return
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return tslib_1.__awaiter(this, void 0, void 0, function () {
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return
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return tslib_1.__generator(this, function (_a) {
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selections = [];
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@@ -264,9 +264,9 @@ var StructureMeasurementManager = /** @class */ (function (_super) {
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StructureMeasurementManager.prototype.addPlane = function (locis) {
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return
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return tslib_1.__awaiter(this, void 0, void 0, function () {
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return
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return tslib_1.__generator(this, function (_a) {
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selections = [];
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@@ -299,9 +299,9 @@ var StructureMeasurementManager = /** @class */ (function (_super) {
|
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StructureMeasurementManager.prototype.addOrderLabels = function (locis) {
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return
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return tslib_1.__awaiter(this, void 0, void 0, function () {
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|
var update, current, _i, current_1, obj, order, _a, locis_1, loci, cell, dependsOn, state;
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return
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+
return tslib_1.__generator(this, function (_b) {
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switch (_b.label) {
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case 0:
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update = this.getGroup();
|
|
@@ -373,4 +373,3 @@ var StructureMeasurementManager = /** @class */ (function (_super) {
|
|
|
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|
return StructureMeasurementManager;
|
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|
}(component_1.StatefulPluginComponent));
|
|
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|
exports.StructureMeasurementManager = StructureMeasurementManager;
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|
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//# sourceMappingURL=measurement.js.map
|
|
@@ -24,7 +24,7 @@ var util_1 = require("../../../mol-data/util");
|
|
|
24
24
|
var boundaryHelper = new boundary_helper_1.BoundaryHelper('98');
|
|
25
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|
var HISTORY_CAPACITY = 24;
|
|
26
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|
var StructureSelectionManager = /** @class */ (function (_super) {
|
|
27
|
-
|
|
27
|
+
tslib_1.__extends(StructureSelectionManager, _super);
|
|
28
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|
function StructureSelectionManager(plugin) {
|
|
29
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|
var _this = _super.call(this, { entries: new Map(), additionsHistory: [], stats: SelectionStats() }) || this;
|
|
30
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|
_this.plugin = plugin;
|
|
@@ -464,9 +464,9 @@ var StructureSelectionManager = /** @class */ (function (_super) {
|
|
|
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|
StructureSelectionManager.prototype.fromSelectionQuery = function (modifier, query, applyGranularity) {
|
|
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|
var _this = this;
|
|
466
466
|
if (applyGranularity === void 0) { applyGranularity = true; }
|
|
467
|
-
this.plugin.runTask(mol_task_1.Task.create('Structure Selection', function (runtime) { return
|
|
467
|
+
this.plugin.runTask(mol_task_1.Task.create('Structure Selection', function (runtime) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
|
|
468
468
|
var _i, _a, s, loci;
|
|
469
|
-
return
|
|
469
|
+
return tslib_1.__generator(this, function (_b) {
|
|
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|
switch (_b.label) {
|
|
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471
|
case 0:
|
|
472
472
|
_i = 0, _a = this.applicableStructures;
|
|
@@ -553,4 +553,3 @@ function getElementRange(structure, ref, ext) {
|
|
|
553
553
|
indices: int_1.OrderedSet.ofRange(min, max)
|
|
554
554
|
}]);
|
|
555
555
|
}
|
|
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|
-
//# sourceMappingURL=selection.js.map
|
|
@@ -13,7 +13,7 @@ var hierarchy_state_1 = require("./hierarchy-state");
|
|
|
13
13
|
var volume_representation_params_1 = require("../../helpers/volume-representation-params");
|
|
14
14
|
var transforms_1 = require("../../transforms");
|
|
15
15
|
var VolumeHierarchyManager = /** @class */ (function (_super) {
|
|
16
|
-
|
|
16
|
+
tslib_1.__extends(VolumeHierarchyManager, _super);
|
|
17
17
|
function VolumeHierarchyManager(plugin) {
|
|
18
18
|
var _this = _super.call(this) || this;
|
|
19
19
|
_this.plugin = plugin;
|
|
@@ -143,4 +143,3 @@ exports.VolumeHierarchyManager = VolumeHierarchyManager;
|
|
|
143
143
|
VolumeHierarchyManager.getRepresentationTypes = getRepresentationTypes;
|
|
144
144
|
})(VolumeHierarchyManager = exports.VolumeHierarchyManager || (exports.VolumeHierarchyManager = {}));
|
|
145
145
|
exports.VolumeHierarchyManager = VolumeHierarchyManager;
|
|
146
|
-
//# sourceMappingURL=hierarchy.js.map
|
|
@@ -1,5 +1,5 @@
|
|
|
1
1
|
/**
|
|
2
|
-
* Copyright (c) 2018-
|
|
2
|
+
* Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
3
3
|
*
|
|
4
4
|
* @author David Sehnal <david.sehnal@gmail.com>
|
|
5
5
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
@@ -23,6 +23,8 @@ import { CubeFile } from '../mol-io/reader/cube/parser';
|
|
|
23
23
|
import { DxFile } from '../mol-io/reader/dx/parser';
|
|
24
24
|
import { Color } from '../mol-util/color/color';
|
|
25
25
|
import { Asset } from '../mol-util/assets';
|
|
26
|
+
import { PrmtopFile } from '../mol-io/reader/prmtop/parser';
|
|
27
|
+
import { TopFile } from '../mol-io/reader/top/parser';
|
|
26
28
|
export declare type TypeClass = 'root' | 'data' | 'prop';
|
|
27
29
|
export declare namespace PluginStateObject {
|
|
28
30
|
export type Any = StateObject<any, TypeInfo>;
|
|
@@ -313,6 +315,50 @@ export declare namespace PluginStateObject {
|
|
|
313
315
|
};
|
|
314
316
|
export class Psf extends Psf_base {
|
|
315
317
|
}
|
|
318
|
+
const Prmtop_base: {
|
|
319
|
+
new (data: PrmtopFile, props?: {
|
|
320
|
+
label: string;
|
|
321
|
+
description?: string | undefined;
|
|
322
|
+
} | undefined): {
|
|
323
|
+
id: import("../mol-util/uuid").UUID;
|
|
324
|
+
type: TypeInfo;
|
|
325
|
+
label: string;
|
|
326
|
+
description?: string | undefined;
|
|
327
|
+
data: PrmtopFile;
|
|
328
|
+
};
|
|
329
|
+
type: TypeInfo;
|
|
330
|
+
is(obj?: StateObject<any, StateObject.Type<any>> | undefined): obj is {
|
|
331
|
+
id: import("../mol-util/uuid").UUID;
|
|
332
|
+
type: TypeInfo;
|
|
333
|
+
label: string;
|
|
334
|
+
description?: string | undefined;
|
|
335
|
+
data: PrmtopFile;
|
|
336
|
+
};
|
|
337
|
+
};
|
|
338
|
+
export class Prmtop extends Prmtop_base {
|
|
339
|
+
}
|
|
340
|
+
const Top_base: {
|
|
341
|
+
new (data: TopFile, props?: {
|
|
342
|
+
label: string;
|
|
343
|
+
description?: string | undefined;
|
|
344
|
+
} | undefined): {
|
|
345
|
+
id: import("../mol-util/uuid").UUID;
|
|
346
|
+
type: TypeInfo;
|
|
347
|
+
label: string;
|
|
348
|
+
description?: string | undefined;
|
|
349
|
+
data: TopFile;
|
|
350
|
+
};
|
|
351
|
+
type: TypeInfo;
|
|
352
|
+
is(obj?: StateObject<any, StateObject.Type<any>> | undefined): obj is {
|
|
353
|
+
id: import("../mol-util/uuid").UUID;
|
|
354
|
+
type: TypeInfo;
|
|
355
|
+
label: string;
|
|
356
|
+
description?: string | undefined;
|
|
357
|
+
data: TopFile;
|
|
358
|
+
};
|
|
359
|
+
};
|
|
360
|
+
export class Top extends Top_base {
|
|
361
|
+
}
|
|
316
362
|
const Ply_base: {
|
|
317
363
|
new (data: PlyFile, props?: {
|
|
318
364
|
label: string;
|