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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- package/lib/mol-script/language/parser.js +7 -5
- package/lib/mol-script/language/symbol-table/core.js +0 -1
- package/lib/mol-script/language/symbol-table/internal.js +0 -1
- package/lib/mol-script/language/symbol-table/structure-query.js +0 -1
- package/lib/mol-script/language/symbol-table.js +0 -1
- package/lib/mol-script/language/symbol.js +0 -1
- package/lib/mol-script/language/type.js +0 -1
- package/lib/mol-script/runtime/environment.js +0 -1
- package/lib/mol-script/runtime/expression.js +0 -1
- package/lib/mol-script/runtime/query/base.js +0 -1
- package/lib/mol-script/runtime/query/compiler.js +0 -1
- package/lib/mol-script/runtime/query/table.js +0 -1
- package/lib/mol-script/runtime/runtime-macro.js +0 -1
- package/lib/mol-script/runtime/symbol.js +0 -1
- package/lib/mol-script/script/mol-script/examples.js +0 -1
- package/lib/mol-script/script/mol-script/parser.js +0 -1
- package/lib/mol-script/script/mol-script/script-macro.js +0 -1
- package/lib/mol-script/script/mol-script/symbols.js +0 -1
- package/lib/mol-script/script/parser.js +0 -1
- package/lib/mol-script/script.js +0 -1
- package/lib/mol-script/util/id-list.js +0 -1
- package/lib/mol-state/action/manager.js +0 -1
- package/lib/mol-state/action.js +0 -1
- package/lib/mol-state/index.js +0 -1
- package/lib/mol-state/object.js +0 -1
- package/lib/mol-state/state/builder.js +0 -1
- package/lib/mol-state/state/selection.js +0 -1
- package/lib/mol-state/state.js +0 -1
- package/lib/mol-state/transform.js +0 -1
- package/lib/mol-state/transformer.js +0 -1
- package/lib/mol-state/tree/immutable.js +0 -1
- package/lib/mol-state/tree/spine.js +0 -1
- package/lib/mol-state/tree/transient.js +0 -1
- package/lib/mol-state/tree.js +0 -1
- package/lib/mol-task/execution/observable.js +0 -1
- package/lib/mol-task/execution/progress.js +0 -1
- package/lib/mol-task/execution/runtime-context.js +0 -1
- package/lib/mol-task/execution/synchronous.js +0 -1
- package/lib/mol-task/index.js +0 -1
- package/lib/mol-task/task.js +0 -1
- package/lib/mol-task/util/chunked.js +0 -1
- package/lib/mol-task/util/multistep.js +0 -1
- package/lib/mol-task/util/scheduler.d.ts +2 -2
- package/lib/mol-task/util/scheduler.js +7 -8
- package/lib/mol-task/util/user-timing.js +0 -1
- package/lib/mol-theme/clipping.js +0 -1
- package/lib/mol-theme/color/atom-id.js +0 -1
- package/lib/mol-theme/color/carbohydrate-symbol.js +0 -1
- package/lib/mol-theme/color/chain-id.js +0 -1
- package/lib/mol-theme/color/element-index.js +0 -1
- package/lib/mol-theme/color/element-symbol.js +0 -1
- package/lib/mol-theme/color/entity-id.js +0 -1
- package/lib/mol-theme/color/entity-source.js +0 -1
- package/lib/mol-theme/color/hydrophobicity.js +2 -3
- package/lib/mol-theme/color/illustrative.js +0 -1
- package/lib/mol-theme/color/model-index.js +0 -1
- package/lib/mol-theme/color/molecule-type.js +0 -1
- package/lib/mol-theme/color/occupancy.js +0 -1
- package/lib/mol-theme/color/operator-hkl.js +0 -1
- package/lib/mol-theme/color/operator-name.js +0 -1
- package/lib/mol-theme/color/partial-charge.js +0 -1
- package/lib/mol-theme/color/polymer-id.js +0 -1
- package/lib/mol-theme/color/polymer-index.js +0 -1
- package/lib/mol-theme/color/residue-name.js +0 -1
- package/lib/mol-theme/color/secondary-structure.js +0 -1
- package/lib/mol-theme/color/sequence-id.js +0 -1
- package/lib/mol-theme/color/shape-group.js +0 -1
- package/lib/mol-theme/color/uncertainty.js +0 -1
- package/lib/mol-theme/color/uniform.js +0 -1
- package/lib/mol-theme/color/unit-index.js +0 -1
- package/lib/mol-theme/color/volume-value.js +0 -1
- package/lib/mol-theme/color.js +0 -1
- package/lib/mol-theme/label.js +0 -1
- package/lib/mol-theme/overpaint.js +0 -1
- package/lib/mol-theme/size/physical.js +0 -1
- package/lib/mol-theme/size/shape-group.js +0 -1
- package/lib/mol-theme/size/uncertainty.js +0 -1
- package/lib/mol-theme/size/uniform.js +0 -1
- package/lib/mol-theme/size.js +0 -1
- package/lib/mol-theme/substance.js +0 -1
- package/lib/mol-theme/theme.js +0 -1
- package/lib/mol-theme/transparency.js +0 -1
- package/lib/mol-util/array.js +0 -1
- package/lib/mol-util/assets.js +0 -1
- package/lib/mol-util/async-queue.js +0 -1
- package/lib/mol-util/binding.js +0 -1
- package/lib/mol-util/bit-flags.js +0 -1
- package/lib/mol-util/clip.js +0 -1
- package/lib/mol-util/color/color.js +0 -1
- package/lib/mol-util/color/distinct.js +0 -1
- package/lib/mol-util/color/index.js +0 -1
- package/lib/mol-util/color/lists.js +0 -1
- package/lib/mol-util/color/names.js +0 -1
- package/lib/mol-util/color/palette.js +0 -1
- package/lib/mol-util/color/params.js +0 -1
- package/lib/mol-util/color/scale.js +0 -1
- package/lib/mol-util/color/spaces/hcl.js +0 -1
- package/lib/mol-util/color/spaces/lab.js +0 -1
- package/lib/mol-util/color/swatches.js +0 -1
- package/lib/mol-util/console-logger.js +0 -1
- package/lib/mol-util/data-source.js +2 -2
- package/lib/mol-util/date.js +0 -1
- package/lib/mol-util/debug.js +0 -1
- package/lib/mol-util/download.js +0 -1
- package/lib/mol-util/file-info.d.ts +1 -3
- package/lib/mol-util/file-info.js +2 -11
- package/lib/mol-util/graphql-client.js +0 -1
- package/lib/mol-util/id-factory.js +0 -1
- package/lib/mol-util/image.js +0 -1
- package/lib/mol-util/index.d.ts +1 -0
- package/lib/mol-util/index.js +5 -1
- package/lib/mol-util/input/event-offset.js +0 -1
- package/lib/mol-util/input/input-observer.js +0 -1
- package/lib/mol-util/is-little-endian.js +0 -1
- package/lib/mol-util/legend.js +0 -1
- package/lib/mol-util/log-entry.js +0 -1
- package/lib/mol-util/lru-cache.js +0 -1
- package/lib/mol-util/make-dir.js +0 -1
- package/lib/mol-util/map.js +0 -1
- package/lib/mol-util/marker-action.js +0 -1
- package/lib/mol-util/mask.js +0 -1
- package/lib/mol-util/material.js +0 -1
- package/lib/mol-util/memoize.js +0 -1
- package/lib/mol-util/monadic-parser.js +0 -1
- package/lib/mol-util/now.js +0 -1
- package/lib/mol-util/number-packing.js +0 -1
- package/lib/mol-util/number.js +0 -1
- package/lib/mol-util/object.js +0 -1
- package/lib/mol-util/param-definition.js +0 -1
- package/lib/mol-util/param-mapping.js +0 -1
- package/lib/mol-util/performance-monitor.js +0 -1
- package/lib/mol-util/polyfill.js +0 -1
- package/lib/mol-util/read.js +0 -1
- package/lib/mol-util/reference-cache.js +0 -1
- package/lib/mol-util/retry-if.js +0 -1
- package/lib/mol-util/rx-event-helper.js +0 -1
- package/lib/mol-util/set.js +0 -1
- package/lib/mol-util/sleep.js +0 -1
- package/lib/mol-util/string-builder.js +0 -1
- package/lib/mol-util/string.js +0 -1
- package/lib/mol-util/type-helpers.js +0 -1
- package/lib/mol-util/url.js +0 -1
- package/lib/mol-util/uuid.js +0 -1
- package/lib/mol-util/value-cell.js +0 -1
- package/lib/mol-util/zip/bin.js +0 -1
- package/lib/mol-util/zip/checksum.js +0 -1
- package/lib/mol-util/zip/deflate.js +2 -2
- package/lib/mol-util/zip/huffman.js +0 -1
- package/lib/mol-util/zip/inflate.js +0 -1
- package/lib/mol-util/zip/util.js +0 -1
- package/lib/mol-util/zip/zip.d.ts +7 -1
- package/lib/mol-util/zip/zip.js +5 -2
- package/lib/servers/common/file-handle.js +0 -1
- package/lib/servers/common/swagger-ui/index.js +0 -1
- package/lib/servers/common/swagger-ui/indexTemplate.js +0 -1
- package/lib/servers/common/util.js +0 -1
- package/lib/servers/model/config.d.ts +2 -2
- package/lib/servers/model/config.js +0 -1
- package/lib/servers/model/preprocess/converter.js +0 -1
- package/lib/servers/model/preprocess/master.js +0 -1
- package/lib/servers/model/preprocess/parallel.js +0 -1
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- package/lib/servers/model/preprocess/util.js +0 -1
- package/lib/servers/model/preprocess.js +0 -1
- package/lib/servers/model/properties/pdbe.js +0 -1
- package/lib/servers/model/properties/providers/pdbe.js +0 -1
- package/lib/servers/model/properties/providers/wwpdb.js +0 -1
- package/lib/servers/model/properties/wwpdb.js +0 -1
- package/lib/servers/model/property-provider.js +0 -1
- package/lib/servers/model/query/atoms.js +0 -1
- package/lib/servers/model/query/schemas.js +0 -1
- package/lib/servers/model/query.js +0 -1
- package/lib/servers/model/server/api-local.js +0 -1
- package/lib/servers/model/server/api-schema.js +0 -1
- package/lib/servers/model/server/api-web-multiple.js +0 -1
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- package/lib/servers/model/server/api.js +0 -1
- package/lib/servers/model/server/cache.js +0 -1
- package/lib/servers/model/server/jobs.js +0 -1
- package/lib/servers/model/server/query.js +0 -1
- package/lib/servers/model/server/structure-wrapper.js +0 -1
- package/lib/servers/model/server.js +0 -1
- package/lib/servers/model/test.js +0 -1
- package/lib/servers/model/utils/fetch-props-pdbe.js +0 -1
- package/lib/servers/model/utils/fetch-retry.js +0 -1
- package/lib/servers/model/utils/tar.js +0 -1
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- package/lib/servers/model/version.js +0 -1
- package/lib/servers/plugin-state/api-schema.js +0 -1
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- package/lib/servers/volume/common/binary-schema.js +0 -1
- package/lib/servers/volume/common/data-format.js +0 -1
- package/lib/servers/volume/common/file.js +0 -1
- package/lib/servers/volume/config.js +0 -1
- package/lib/servers/volume/pack/data-model.js +0 -1
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- package/lib/servers/volume/pack/format/ccp4.js +0 -1
- package/lib/servers/volume/pack/format/dsn6.js +0 -1
- package/lib/servers/volume/pack/format.js +0 -1
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- package/lib/servers/volume/query.js +0 -1
- package/lib/servers/volume/server/algebra/box.js +0 -1
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- package/lib/servers/volume/server/api.js +0 -1
- package/lib/servers/volume/server/local-api.js +0 -1
- package/lib/servers/volume/server/query/compose.js +0 -1
- package/lib/servers/volume/server/query/data-model.js +0 -1
- package/lib/servers/volume/server/query/encode.js +0 -1
- package/lib/servers/volume/server/query/execute.js +0 -1
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- package/lib/servers/volume/server.js +0 -1
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var HydrogenBondsParams = tslib_1.__assign(tslib_1.__assign({}, GeometryParams), { water: param_definition_1.ParamDefinition.Boolean(false, { description: 'Include water-to-water hydrogen bonds' }), sulfurDistanceMax: param_definition_1.ParamDefinition.Numeric(4.1, { min: 1, max: 5, step: 0.1 }) });
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return
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return tslib_1.__assign(tslib_1.__assign({}, getGeometryOptions(props)), { includeWater: props.water, maxSulfurDistSq: props.sulfurDistanceMax * props.sulfurDistanceMax, maxDistSq: props.distanceMax * props.distanceMax });
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//# sourceMappingURL=hydrogen-bonds.js.map
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@@ -143,12 +143,12 @@ exports.InteractionsParams = {
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contacts: param_definition_1.ParamDefinition.Group(contacts_1.ContactsParams, { label: 'Advanced Options' }),
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return
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return tslib_1.__awaiter(this, void 0, void 0, function () {
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var p, contactTesters, requiredFeatures, featureProviders, unitsFeatures, unitsContacts, i, il, group, features, intraUnitContacts, j, jl, u, contacts, interactions;
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p = tslib_1.__assign(tslib_1.__assign({}, param_definition_1.ParamDefinition.getDefaultValues(exports.InteractionsParams)), props);
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return [4 /*yield*/, valence_model_1.ValenceModelProvider.attach(ctx, structure)];
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@@ -227,4 +227,3 @@ function findInterUnitContacts(structure, unitsFeatures, contactTesters, props)
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//# sourceMappingURL=interactions.js.map
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@@ -11,7 +11,7 @@ var param_definition_1 = require("../../mol-util/param-definition");
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var interactions_1 = require("./interactions/interactions");
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var custom_property_1 = require("../../mol-model/custom-property");
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exports.InteractionsParams =
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+
exports.InteractionsParams = tslib_1.__assign({}, interactions_1.InteractionsParams);
|
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|
exports.InteractionsProvider = custom_structure_property_1.CustomStructureProperty.createProvider({
|
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label: 'Interactions',
|
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descriptor: (0, custom_property_1.CustomPropertyDescriptor)({
|
|
@@ -22,13 +22,13 @@ exports.InteractionsProvider = custom_structure_property_1.CustomStructureProper
|
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defaultParams: exports.InteractionsParams,
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getParams: function (data) { return exports.InteractionsParams; },
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isApplicable: function (data) { return !data.isCoarseGrained; },
|
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obtain: function (ctx, data, props) { return
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obtain: function (ctx, data, props) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
|
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return
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return tslib_1.__generator(this, function (_b) {
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p = tslib_1.__assign(tslib_1.__assign({}, param_definition_1.ParamDefinition.getDefaultValues(exports.InteractionsParams)), props);
|
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return [4 /*yield*/, (0, interactions_1.computeInteractions)(ctx, data, p)];
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case 1: return [2 /*return*/, (_a.value = _b.sent(), _a)];
|
|
@@ -36,4 +36,3 @@ exports.InteractionsProvider = custom_structure_property_1.CustomStructureProper
|
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}); }
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-
//# sourceMappingURL=interactions.js.map
|
package/lib/commonjs/mol-model-props/computed/representations/interactions-inter-unit-cylinder.js
CHANGED
|
@@ -76,12 +76,18 @@ function createInterUnitInteractionCylinderMesh(ctx, structure, theme, props, me
|
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return false;
|
|
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|
}
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};
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var
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var _a = (0, link_1.createLinkCylinderMesh)(ctx, builderProps, props, mesh), m = _a.mesh, boundingSphere = _a.boundingSphere;
|
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+
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|
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|
+
m.setBoundingSphere(boundingSphere);
|
|
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+
}
|
|
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|
+
else if (m.triangleCount > 0) {
|
|
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|
+
var child_1 = structure.child;
|
|
85
|
+
var sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), (child_1 !== null && child_1 !== void 0 ? child_1 : structure).boundary.sphere, 1 * sizeFactor);
|
|
86
|
+
m.setBoundingSphere(sphere);
|
|
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|
+
}
|
|
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|
return m;
|
|
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|
}
|
|
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|
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exports.InteractionsInterUnitParams =
|
|
90
|
+
exports.InteractionsInterUnitParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, complex_visual_1.ComplexMeshParams), link_1.LinkCylinderParams), { sizeFactor: param_definition_1.ParamDefinition.Numeric(0.3, { min: 0, max: 10, step: 0.01 }), dashCount: param_definition_1.ParamDefinition.Numeric(6, { min: 2, max: 10, step: 2 }), dashScale: param_definition_1.ParamDefinition.Numeric(0.4, { min: 0, max: 2, step: 0.1 }), includeParent: param_definition_1.ParamDefinition.Boolean(false) });
|
|
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|
function InteractionsInterUnitVisual(materialId) {
|
|
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|
return (0, complex_visual_1.ComplexMeshVisual)({
|
|
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93
|
defaultProps: param_definition_1.ParamDefinition.getDefaultValues(exports.InteractionsInterUnitParams),
|
|
@@ -211,4 +217,3 @@ function createInteractionsIterator(structure) {
|
|
|
211
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|
};
|
|
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218
|
return (0, location_iterator_1.LocationIterator)(groupCount, instanceCount, 1, getLocation, true);
|
|
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|
}
|
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|
-
//# sourceMappingURL=interactions-inter-unit-cylinder.js.map
|
package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js
CHANGED
|
@@ -20,9 +20,9 @@ var location_iterator_1 = require("../../../mol-geo/util/location-iterator");
|
|
|
20
20
|
var interactions_2 = require("../interactions/interactions");
|
|
21
21
|
var geometry_1 = require("../../../mol-math/geometry");
|
|
22
22
|
function createIntraUnitInteractionsCylinderMesh(ctx, unit, structure, theme, props, mesh) {
|
|
23
|
-
return
|
|
24
|
-
var child, childUnit, location, interactions, features, contacts, x, y, z, members, offsets, edgeCount, a, b, flag, sizeFactor, builderProps, m, sphere;
|
|
25
|
-
return
|
|
23
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
24
|
+
var child, childUnit, location, interactions, features, contacts, x, y, z, members, offsets, edgeCount, a, b, flag, sizeFactor, builderProps, _a, m, boundingSphere, sphere;
|
|
25
|
+
return tslib_1.__generator(this, function (_b) {
|
|
26
26
|
if (!structure_1.Unit.isAtomic(unit))
|
|
27
27
|
return [2 /*return*/, mesh_1.Mesh.createEmpty(mesh)];
|
|
28
28
|
child = structure.child;
|
|
@@ -66,14 +66,19 @@ function createIntraUnitInteractionsCylinderMesh(ctx, unit, structure, theme, pr
|
|
|
66
66
|
return false;
|
|
67
67
|
}
|
|
68
68
|
};
|
|
69
|
-
|
|
70
|
-
|
|
71
|
-
|
|
69
|
+
_a = (0, link_1.createLinkCylinderMesh)(ctx, builderProps, props, mesh), m = _a.mesh, boundingSphere = _a.boundingSphere;
|
|
70
|
+
if (boundingSphere) {
|
|
71
|
+
m.setBoundingSphere(boundingSphere);
|
|
72
|
+
}
|
|
73
|
+
else if (m.triangleCount > 0) {
|
|
74
|
+
sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), (childUnit !== null && childUnit !== void 0 ? childUnit : unit).boundary.sphere, 1 * sizeFactor);
|
|
75
|
+
m.setBoundingSphere(sphere);
|
|
76
|
+
}
|
|
72
77
|
return [2 /*return*/, m];
|
|
73
78
|
});
|
|
74
79
|
});
|
|
75
80
|
}
|
|
76
|
-
exports.InteractionsIntraUnitParams =
|
|
81
|
+
exports.InteractionsIntraUnitParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, units_visual_1.UnitsMeshParams), link_1.LinkCylinderParams), { sizeFactor: param_definition_1.ParamDefinition.Numeric(0.3, { min: 0, max: 10, step: 0.01 }), dashCount: param_definition_1.ParamDefinition.Numeric(6, { min: 2, max: 10, step: 2 }), dashScale: param_definition_1.ParamDefinition.Numeric(0.4, { min: 0, max: 2, step: 0.1 }), includeParent: param_definition_1.ParamDefinition.Boolean(false) });
|
|
77
82
|
function InteractionsIntraUnitVisual(materialId) {
|
|
78
83
|
return (0, units_visual_1.UnitsMeshVisual)({
|
|
79
84
|
defaultProps: param_definition_1.ParamDefinition.getDefaultValues(exports.InteractionsIntraUnitParams),
|
|
@@ -209,4 +214,3 @@ function createInteractionsIterator(structureGroup) {
|
|
|
209
214
|
};
|
|
210
215
|
return (0, location_iterator_1.LocationIterator)(groupCount, instanceCount, 1, getLocation);
|
|
211
216
|
}
|
|
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|
-
//# sourceMappingURL=interactions-intra-unit-cylinder.js.map
|
|
@@ -18,7 +18,7 @@ var InteractionsVisuals = {
|
|
|
18
18
|
'intra-unit': function (ctx, getParams) { return (0, representation_2.UnitsRepresentation)('Intra-unit interactions cylinder', ctx, getParams, interactions_intra_unit_cylinder_1.InteractionsIntraUnitVisual); },
|
|
19
19
|
'inter-unit': function (ctx, getParams) { return (0, representation_2.ComplexRepresentation)('Inter-unit interactions cylinder', ctx, getParams, interactions_inter_unit_cylinder_1.InteractionsInterUnitVisual); },
|
|
20
20
|
};
|
|
21
|
-
exports.InteractionsParams =
|
|
21
|
+
exports.InteractionsParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, interactions_intra_unit_cylinder_1.InteractionsIntraUnitParams), interactions_inter_unit_cylinder_1.InteractionsInterUnitParams), { unitKinds: (0, params_1.getUnitKindsParam)(['atomic']), sizeFactor: param_definition_1.ParamDefinition.Numeric(0.2, { min: 0.01, max: 1, step: 0.01 }), visuals: param_definition_1.ParamDefinition.MultiSelect(['intra-unit', 'inter-unit'], param_definition_1.ParamDefinition.objectToOptions(InteractionsVisuals)) });
|
|
22
22
|
function getInteractionParams(ctx, structure) {
|
|
23
23
|
return param_definition_1.ParamDefinition.clone(exports.InteractionsParams);
|
|
24
24
|
}
|
|
@@ -48,4 +48,3 @@ exports.InteractionsRepresentationProvider = (0, representation_2.StructureRepre
|
|
|
48
48
|
return oldProps.includeParent !== newProps.includeParent;
|
|
49
49
|
}
|
|
50
50
|
});
|
|
51
|
-
//# sourceMappingURL=interactions.js.map
|
|
@@ -20,4 +20,3 @@ function calcUnitProteinTraceLookup3D(unit, unitProteinResidues) {
|
|
|
20
20
|
return (0, geometry_1.GridLookup3D)(position, (0, boundary_1.getBoundary)(position));
|
|
21
21
|
}
|
|
22
22
|
exports.calcUnitProteinTraceLookup3D = calcUnitProteinTraceLookup3D;
|
|
23
|
-
//# sourceMappingURL=trace-lookup.js.map
|
|
@@ -35,9 +35,9 @@ exports.DSSPComputationParams = {
|
|
|
35
35
|
oldOrdering: param_definition_1.ParamDefinition.Boolean(true, { description: 'Alpha-helices are preferred over 3-10 helices' })
|
|
36
36
|
};
|
|
37
37
|
function computeUnitDSSP(unit, params) {
|
|
38
|
-
return
|
|
38
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
39
39
|
var proteinInfo, residueIndices, lookup3d, hbonds, residueCount, flags, torsionAngles, ladders, bridges, getResidueFlag, getFlagName, ctx, assignment, type, keys, elements, getIndex, i, il, assign, flag;
|
|
40
|
-
return
|
|
40
|
+
return tslib_1.__generator(this, function (_a) {
|
|
41
41
|
proteinInfo = (0, protein_info_1.getUnitProteinInfo)(unit);
|
|
42
42
|
residueIndices = proteinInfo.residueIndices;
|
|
43
43
|
lookup3d = (0, trace_lookup_1.calcUnitProteinTraceLookup3D)(unit, residueIndices);
|
|
@@ -209,4 +209,3 @@ function getDSSPAssignment(flags, getResidueFlag) {
|
|
|
209
209
|
}
|
|
210
210
|
return type;
|
|
211
211
|
}
|
|
212
|
-
//# sourceMappingURL=dssp.js.map
|
|
@@ -46,13 +46,13 @@ exports.SecondaryStructureProvider = custom_structure_property_1.CustomStructure
|
|
|
46
46
|
defaultParams: exports.SecondaryStructureParams,
|
|
47
47
|
getParams: getSecondaryStructureParams,
|
|
48
48
|
isApplicable: function (data) { return true; },
|
|
49
|
-
obtain: function (ctx, data, props) { return
|
|
49
|
+
obtain: function (ctx, data, props) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
|
|
50
50
|
var p, _a;
|
|
51
51
|
var _b, _c;
|
|
52
|
-
return
|
|
52
|
+
return tslib_1.__generator(this, function (_d) {
|
|
53
53
|
switch (_d.label) {
|
|
54
54
|
case 0:
|
|
55
|
-
p =
|
|
55
|
+
p = tslib_1.__assign(tslib_1.__assign({}, param_definition_1.ParamDefinition.getDefaultValues(exports.SecondaryStructureParams)), props);
|
|
56
56
|
_a = p.type.name;
|
|
57
57
|
switch (_a) {
|
|
58
58
|
case 'dssp': return [3 /*break*/, 1];
|
|
@@ -73,9 +73,9 @@ exports.SecondaryStructureProvider = custom_structure_property_1.CustomStructure
|
|
|
73
73
|
}); }
|
|
74
74
|
});
|
|
75
75
|
function computeDssp(structure, props) {
|
|
76
|
-
return
|
|
76
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
77
77
|
var map, i, il, u, secondaryStructure;
|
|
78
|
-
return
|
|
78
|
+
return tslib_1.__generator(this, function (_a) {
|
|
79
79
|
switch (_a.label) {
|
|
80
80
|
case 0:
|
|
81
81
|
map = new Map();
|
|
@@ -99,9 +99,9 @@ function computeDssp(structure, props) {
|
|
|
99
99
|
});
|
|
100
100
|
}
|
|
101
101
|
function computeModel(structure) {
|
|
102
|
-
return
|
|
102
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
103
103
|
var map, i, il, u, secondaryStructure;
|
|
104
|
-
return
|
|
104
|
+
return tslib_1.__generator(this, function (_a) {
|
|
105
105
|
map = new Map();
|
|
106
106
|
for (i = 0, il = structure.unitSymmetryGroups.length; i < il; ++i) {
|
|
107
107
|
u = structure.unitSymmetryGroups[i].units[0];
|
|
@@ -116,4 +116,3 @@ function computeModel(structure) {
|
|
|
116
116
|
});
|
|
117
117
|
});
|
|
118
118
|
}
|
|
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|
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//# sourceMappingURL=secondary-structure.js.map
|
|
@@ -11,7 +11,7 @@ var param_definition_1 = require("../../mol-util/param-definition");
|
|
|
11
11
|
var valence_model_1 = require("./chemistry/valence-model");
|
|
12
12
|
var custom_structure_property_1 = require("../common/custom-structure-property");
|
|
13
13
|
var custom_property_1 = require("../../mol-model/custom-property");
|
|
14
|
-
exports.ValenceModelParams =
|
|
14
|
+
exports.ValenceModelParams = tslib_1.__assign({}, valence_model_1.ValenceModelParams);
|
|
15
15
|
exports.ValenceModelProvider = custom_structure_property_1.CustomStructureProperty.createProvider({
|
|
16
16
|
label: 'Valence Model',
|
|
17
17
|
descriptor: (0, custom_property_1.CustomPropertyDescriptor)({
|
|
@@ -22,13 +22,13 @@ exports.ValenceModelProvider = custom_structure_property_1.CustomStructureProper
|
|
|
22
22
|
defaultParams: exports.ValenceModelParams,
|
|
23
23
|
getParams: function (data) { return exports.ValenceModelParams; },
|
|
24
24
|
isApplicable: function (data) { return true; },
|
|
25
|
-
obtain: function (ctx, data, props) { return
|
|
25
|
+
obtain: function (ctx, data, props) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
|
|
26
26
|
var p;
|
|
27
27
|
var _a;
|
|
28
|
-
return
|
|
28
|
+
return tslib_1.__generator(this, function (_b) {
|
|
29
29
|
switch (_b.label) {
|
|
30
30
|
case 0:
|
|
31
|
-
p =
|
|
31
|
+
p = tslib_1.__assign(tslib_1.__assign({}, param_definition_1.ParamDefinition.getDefaultValues(exports.ValenceModelParams)), props);
|
|
32
32
|
_a = {};
|
|
33
33
|
return [4 /*yield*/, (0, valence_model_1.calcValenceModel)(ctx.runtime, data, p)];
|
|
34
34
|
case 1: return [2 /*return*/, (_a.value = _b.sent(), _a)];
|
|
@@ -36,4 +36,3 @@ exports.ValenceModelProvider = custom_structure_property_1.CustomStructureProper
|
|
|
36
36
|
});
|
|
37
37
|
}); }
|
|
38
38
|
});
|
|
39
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//# sourceMappingURL=valence-model.js.map
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@@ -27,8 +27,8 @@ exports.CrossLinkRestraintProvider = custom_structure_property_1.CustomStructure
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defaultParams: {},
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getParams: function (data) { return ({}); },
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isApplicable: function (data) { return data.models.some(function (m) { return !!format_1.ModelCrossLinkRestraint.Provider.get(m); }); },
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obtain: function (ctx, data, props) { return
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return
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obtain: function (ctx, data, props) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
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return tslib_1.__generator(this, function (_a) {
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return [2 /*return*/, { value: extractCrossLinkRestraints(data) }];
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});
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}); }
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@@ -194,4 +194,3 @@ function extractCrossLinkRestraints(structure) {
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}
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return new pair_restraints_1.PairRestraints(pairs);
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}
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//# sourceMappingURL=property.js.map
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@@ -18,6 +18,7 @@ var link_1 = require("../../../mol-repr/structure/visual/util/link");
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var complex_visual_1 = require("../../../mol-repr/structure/complex-visual");
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var representation_2 = require("../../../mol-repr/structure/representation");
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var property_1 = require("./property");
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var geometry_1 = require("../../../mol-math/geometry");
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function createCrossLinkRestraintCylinderMesh(ctx, structure, theme, props, mesh) {
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var crossLinks = property_1.CrossLinkRestraintProvider.get(structure).value;
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if (!crossLinks.count)
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@@ -39,9 +40,17 @@ function createCrossLinkRestraintCylinderMesh(ctx, structure, theme, props, mesh
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return theme.size.size(location) * sizeFactor;
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},
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};
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var _a = (0, link_1.createLinkCylinderMesh)(ctx, builderProps, props, mesh), m = _a.mesh, boundingSphere = _a.boundingSphere;
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if (boundingSphere) {
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m.setBoundingSphere(boundingSphere);
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}
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else if (m.triangleCount > 0) {
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var sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), structure.boundary.sphere, 1 * sizeFactor);
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m.setBoundingSphere(sphere);
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}
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return m;
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}
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exports.CrossLinkRestraintCylinderParams =
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exports.CrossLinkRestraintCylinderParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, complex_visual_1.ComplexMeshParams), link_1.LinkCylinderParams), { sizeFactor: param_definition_1.ParamDefinition.Numeric(0.5, { min: 0, max: 10, step: 0.1 }) });
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function CrossLinkRestraintVisual(materialId) {
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return (0, complex_visual_1.ComplexMeshVisual)({
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defaultProps: param_definition_1.ParamDefinition.getDefaultValues(exports.CrossLinkRestraintCylinderParams),
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@@ -100,7 +109,7 @@ function eachCrossLink(loci, structure, apply) {
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var CrossLinkRestraintVisuals = {
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'cross-link-restraint': function (ctx, getParams) { return (0, representation_2.ComplexRepresentation)('Cross-link restraint', ctx, getParams, CrossLinkRestraintVisual); },
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};
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exports.CrossLinkRestraintParams =
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exports.CrossLinkRestraintParams = tslib_1.__assign({}, exports.CrossLinkRestraintCylinderParams);
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function getCrossLinkRestraintParams(ctx, structure) {
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return param_definition_1.ParamDefinition.clone(exports.CrossLinkRestraintParams);
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}
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@@ -124,4 +133,3 @@ exports.CrossLinkRestraintRepresentationProvider = (0, representation_2.Structur
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detach: function (data) { return property_1.CrossLinkRestraintProvider.ref(data, false); }
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}
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});
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//# sourceMappingURL=representation.js.map
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@@ -22,8 +22,8 @@ var SIFTSMapping;
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defaultParams: {},
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getParams: function () { return ({}); },
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isApplicable: function (data) { return isAvailable(data); },
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obtain: function (ctx, data) { 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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return [2 /*return*/, { value: fromCif(data) }];
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});
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}); }
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@@ -88,4 +88,3 @@ var SIFTSMapping;
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}
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})(SIFTSMapping || (SIFTSMapping = {}));
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exports.SIFTSMapping = SIFTSMapping;
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//# sourceMappingURL=sifts-mapping.js.map
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