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
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- 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
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- package/lib/mol-util/is-little-endian.js +0 -1
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- package/lib/mol-util/marker-action.js +0 -1
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- package/lib/mol-util/material.js +0 -1
- package/lib/mol-util/memoize.js +0 -1
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- package/lib/mol-util/number-packing.js +0 -1
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- 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
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- 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
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- 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
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- 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
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- package/lib/servers/model/preprocess.js +0 -1
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- package/lib/servers/model/properties/providers/wwpdb.js +0 -1
- package/lib/servers/model/properties/wwpdb.js +0 -1
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function createCarbohydrateTerminalLinkCylinderMesh(ctx, structure, theme, props, mesh) {
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export var CarbohydrateTerminalLinkParams = __assign(__assign(__assign({}, UnitsMeshParams), LinkCylinderParams), { terminalLinkSizeFactor: PD.Numeric(0.2, { min: 0, max: 3, step: 0.01 }) });
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export function CarbohydrateTerminalLinkVisual(materialId) {
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/**
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import { Vec3 } from '../../../mol-math/linear-algebra';
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import { ElementIterator, getElementLoci, eachElement, makeElementIgnoreTest } from './util/element';
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var v3add = Vec3.add;
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export var ElementPointParams = __assign(__assign({}, UnitsPointsParams), { pointSizeAttenuation: PD.Boolean(false), ignoreHydrogens: PD.Boolean(false), traceOnly: PD.Boolean(false) });
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// TODO size
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export function createElementPoint(ctx, unit, structure, theme, props, points) {
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pos(elements[i], p);
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v3add(center, center, p);
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count += 1;
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builder.add(p[0], p[1], p[2], i);
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pos(elements[i], p);
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v3add(center, center, p);
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count += 1;
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var oldBoundingSphere = points ? Sphere3D.clone(points.boundingSphere) : undefined;
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if (count === 0)
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return pt;
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var boundingSphere;
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Vec3.scale(center, center, 1 / count);
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if (oldBoundingSphere && Vec3.distance(center, oldBoundingSphere.center) / oldBoundingSphere.radius < 1.0) {
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pt.setBoundingSphere(boundingSphere);
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export function ElementPointVisual(materialId) {
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/**
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@@ -66,16 +66,19 @@ export function createElementSphereMesh(ctx, unit, structure, theme, props, mesh
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maxSize = size;
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addSphere(builderState, v, size * sizeFactor, detail);
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}
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var oldBoundingSphere = mesh ? Sphere3D.clone(mesh.boundingSphere) : undefined;
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var m = MeshBuilder.getMesh(builderState);
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if (count === 0)
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return m;
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// re-use boundingSphere if it has not changed much
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var boundingSphere;
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Vec3.scale(center, center, 1 / count);
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if (
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boundingSphere =
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@@ -9,6 +9,7 @@ import { Mesh } from '../../../../mol-geo/geometry/mesh/mesh';
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import { VisualContext } from '../../../visual';
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export declare function createLinkCylinderMesh(ctx: VisualContext, linkBuilder: LinkBuilderProps, props: LinkCylinderProps, mesh?: Mesh):
|
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|
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export declare function createLinkCylinderMesh(ctx: VisualContext, linkBuilder: LinkBuilderProps, props: LinkCylinderProps, mesh?: Mesh): {
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};
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export declare function createLinkCylinderImpostors(ctx: VisualContext, linkBuilder: LinkBuilderProps, props: LinkCylinderProps, cylinders?: Cylinders):
|
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|
+
export declare function createLinkCylinderImpostors(ctx: VisualContext, linkBuilder: LinkBuilderProps, props: LinkCylinderProps, cylinders?: Cylinders): {
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+
cylinders: Cylinders;
|
|
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boundingSphere?: Sphere3D;
|
|
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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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export declare function createLinkLines(ctx: VisualContext, linkBuilder: LinkBuilderProps, props: LinkLineProps, lines?: Lines):
|
|
95
|
+
export declare function createLinkLines(ctx: VisualContext, linkBuilder: LinkBuilderProps, props: LinkLineProps, lines?: Lines): {
|
|
96
|
+
lines: Lines;
|
|
97
|
+
boundingSphere?: Sphere3D;
|
|
98
|
+
};
|
|
@@ -13,6 +13,7 @@ import { Lines } from '../../../../mol-geo/geometry/lines/lines';
|
|
|
13
13
|
import { LinesBuilder } from '../../../../mol-geo/geometry/lines/lines-builder';
|
|
14
14
|
import { Cylinders } from '../../../../mol-geo/geometry/cylinders/cylinders';
|
|
15
15
|
import { CylindersBuilder } from '../../../../mol-geo/geometry/cylinders/cylinders-builder';
|
|
16
|
+
import { Sphere3D } from '../../../../mol-math/geometry/primitives/sphere3d';
|
|
16
17
|
export var LinkCylinderParams = {
|
|
17
18
|
linkScale: PD.Numeric(0.45, { min: 0, max: 1, step: 0.01 }),
|
|
18
19
|
linkSpacing: PD.Numeric(1, { min: 0, max: 2, step: 0.01 }),
|
|
@@ -75,13 +76,15 @@ var v3dot = Vec3.dot;
|
|
|
75
76
|
export function createLinkCylinderMesh(ctx, linkBuilder, props, mesh) {
|
|
76
77
|
var linkCount = linkBuilder.linkCount, referencePosition = linkBuilder.referencePosition, position = linkBuilder.position, style = linkBuilder.style, radius = linkBuilder.radius, ignore = linkBuilder.ignore, stub = linkBuilder.stub;
|
|
77
78
|
if (!linkCount)
|
|
78
|
-
return Mesh.createEmpty(mesh);
|
|
79
|
+
return { mesh: Mesh.createEmpty(mesh) };
|
|
79
80
|
var linkScale = props.linkScale, linkSpacing = props.linkSpacing, radialSegments = props.radialSegments, linkCap = props.linkCap, aromaticScale = props.aromaticScale, aromaticSpacing = props.aromaticSpacing, aromaticDashCount = props.aromaticDashCount, dashCount = props.dashCount, dashScale = props.dashScale, dashCap = props.dashCap, stubCap = props.stubCap;
|
|
80
81
|
var vertexCountEstimate = radialSegments * 2 * linkCount * 2;
|
|
81
82
|
var builderState = MeshBuilder.createState(vertexCountEstimate, vertexCountEstimate / 4, mesh);
|
|
82
83
|
var va = Vec3();
|
|
83
84
|
var vb = Vec3();
|
|
84
85
|
var vShift = Vec3();
|
|
86
|
+
var center = Vec3();
|
|
87
|
+
var count = 0;
|
|
85
88
|
var cylinderProps = {
|
|
86
89
|
radiusTop: 1,
|
|
87
90
|
radiusBottom: 1,
|
|
@@ -94,6 +97,9 @@ export function createLinkCylinderMesh(ctx, linkBuilder, props, mesh) {
|
|
|
94
97
|
if (ignore && ignore(edgeIndex))
|
|
95
98
|
continue;
|
|
96
99
|
position(va, vb, edgeIndex);
|
|
100
|
+
v3add(center, center, va);
|
|
101
|
+
v3add(center, center, vb);
|
|
102
|
+
count += 2;
|
|
97
103
|
v3sub(tmpV12, vb, va);
|
|
98
104
|
var dirFlag = v3dot(tmpV12, up) > 0;
|
|
99
105
|
var linkRadius = radius(edgeIndex);
|
|
@@ -181,7 +187,18 @@ export function createLinkCylinderMesh(ctx, linkBuilder, props, mesh) {
|
|
|
181
187
|
addCylinder(builderState, va, vb, 0.5, cylinderProps);
|
|
182
188
|
}
|
|
183
189
|
}
|
|
184
|
-
|
|
190
|
+
var oldBoundingSphere = mesh ? Sphere3D.clone(mesh.boundingSphere) : undefined;
|
|
191
|
+
var m = MeshBuilder.getMesh(builderState);
|
|
192
|
+
if (count === 0)
|
|
193
|
+
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|
|
194
|
+
// re-use boundingSphere if it has not changed much
|
|
195
|
+
Vec3.scale(center, center, 1 / count);
|
|
196
|
+
if (oldBoundingSphere && Vec3.distance(center, oldBoundingSphere.center) / oldBoundingSphere.radius < 1.0) {
|
|
197
|
+
return { mesh: m, boundingSphere: oldBoundingSphere };
|
|
198
|
+
}
|
|
199
|
+
else {
|
|
200
|
+
return { mesh: m };
|
|
201
|
+
}
|
|
185
202
|
}
|
|
186
203
|
/**
|
|
187
204
|
* Each edge is included twice to allow for coloring/picking
|
|
@@ -190,7 +207,7 @@ export function createLinkCylinderMesh(ctx, linkBuilder, props, mesh) {
|
|
|
190
207
|
export function createLinkCylinderImpostors(ctx, linkBuilder, props, cylinders) {
|
|
191
208
|
var linkCount = linkBuilder.linkCount, referencePosition = linkBuilder.referencePosition, position = linkBuilder.position, style = linkBuilder.style, radius = linkBuilder.radius, ignore = linkBuilder.ignore, stub = linkBuilder.stub;
|
|
192
209
|
if (!linkCount)
|
|
193
|
-
return Cylinders.createEmpty(cylinders);
|
|
210
|
+
return { cylinders: Cylinders.createEmpty(cylinders) };
|
|
194
211
|
var linkScale = props.linkScale, linkSpacing = props.linkSpacing, linkCap = props.linkCap, aromaticScale = props.aromaticScale, aromaticSpacing = props.aromaticSpacing, aromaticDashCount = props.aromaticDashCount, dashCount = props.dashCount, dashScale = props.dashScale, dashCap = props.dashCap, stubCap = props.stubCap;
|
|
195
212
|
var cylindersCountEstimate = linkCount * 2;
|
|
196
213
|
var builder = CylindersBuilder.create(cylindersCountEstimate, cylindersCountEstimate / 4, cylinders);
|
|
@@ -198,6 +215,8 @@ export function createLinkCylinderImpostors(ctx, linkBuilder, props, cylinders)
|
|
|
198
215
|
var vb = Vec3();
|
|
199
216
|
var vm = Vec3();
|
|
200
217
|
var vShift = Vec3();
|
|
218
|
+
var center = Vec3();
|
|
219
|
+
var count = 0;
|
|
201
220
|
// automatically adjust length for evenly spaced dashed cylinders
|
|
202
221
|
var segmentCount = dashCount % 2 === 1 ? dashCount : dashCount + 1;
|
|
203
222
|
var lengthScale = 0.5 - (0.5 / 2 / segmentCount);
|
|
@@ -207,6 +226,9 @@ export function createLinkCylinderImpostors(ctx, linkBuilder, props, cylinders)
|
|
|
207
226
|
if (ignore && ignore(edgeIndex))
|
|
208
227
|
continue;
|
|
209
228
|
position(va, vb, edgeIndex);
|
|
229
|
+
v3add(center, center, va);
|
|
230
|
+
v3add(center, center, vb);
|
|
231
|
+
count += 2;
|
|
210
232
|
var linkRadius = radius(edgeIndex);
|
|
211
233
|
var linkStyle = style ? style(edgeIndex) : 0 /* Solid */;
|
|
212
234
|
var linkStub = stubCap && (stub ? stub(edgeIndex) : false);
|
|
@@ -269,7 +291,18 @@ export function createLinkCylinderImpostors(ctx, linkBuilder, props, cylinders)
|
|
|
269
291
|
builder.add(va[0], va[1], va[2], vb[0], vb[1], vb[2], 1, linkCap, linkStub, edgeIndex);
|
|
270
292
|
}
|
|
271
293
|
}
|
|
272
|
-
|
|
294
|
+
var oldBoundingSphere = cylinders ? Sphere3D.clone(cylinders.boundingSphere) : undefined;
|
|
295
|
+
var c = builder.getCylinders();
|
|
296
|
+
if (count === 0)
|
|
297
|
+
return { cylinders: c };
|
|
298
|
+
// re-use boundingSphere if it has not changed much
|
|
299
|
+
Vec3.scale(center, center, 1 / count);
|
|
300
|
+
if (oldBoundingSphere && Vec3.distance(center, oldBoundingSphere.center) / oldBoundingSphere.radius < 1.0) {
|
|
301
|
+
return { cylinders: c, boundingSphere: oldBoundingSphere };
|
|
302
|
+
}
|
|
303
|
+
else {
|
|
304
|
+
return { cylinders: c };
|
|
305
|
+
}
|
|
273
306
|
}
|
|
274
307
|
/**
|
|
275
308
|
* Each edge is included twice to allow for coloring/picking
|
|
@@ -278,7 +311,7 @@ export function createLinkCylinderImpostors(ctx, linkBuilder, props, cylinders)
|
|
|
278
311
|
export function createLinkLines(ctx, linkBuilder, props, lines) {
|
|
279
312
|
var linkCount = linkBuilder.linkCount, referencePosition = linkBuilder.referencePosition, position = linkBuilder.position, style = linkBuilder.style, ignore = linkBuilder.ignore;
|
|
280
313
|
if (!linkCount)
|
|
281
|
-
return Lines.createEmpty(lines);
|
|
314
|
+
return { lines: Lines.createEmpty(lines) };
|
|
282
315
|
var linkScale = props.linkScale, linkSpacing = props.linkSpacing, aromaticDashCount = props.aromaticDashCount, dashCount = props.dashCount;
|
|
283
316
|
var linesCountEstimate = linkCount * 2;
|
|
284
317
|
var builder = LinesBuilder.create(linesCountEstimate, linesCountEstimate / 4, lines);
|
|
@@ -286,6 +319,8 @@ export function createLinkLines(ctx, linkBuilder, props, lines) {
|
|
|
286
319
|
var vb = Vec3();
|
|
287
320
|
var vm = Vec3();
|
|
288
321
|
var vShift = Vec3();
|
|
322
|
+
var center = Vec3();
|
|
323
|
+
var count = 0;
|
|
289
324
|
// automatically adjust length for evenly spaced dashed lines
|
|
290
325
|
var segmentCount = dashCount % 2 === 1 ? dashCount : dashCount + 1;
|
|
291
326
|
var lengthScale = 0.5 - (0.5 / 2 / segmentCount);
|
|
@@ -297,6 +332,9 @@ export function createLinkLines(ctx, linkBuilder, props, lines) {
|
|
|
297
332
|
if (ignore && ignore(edgeIndex))
|
|
298
333
|
continue;
|
|
299
334
|
position(va, vb, edgeIndex);
|
|
335
|
+
v3add(center, center, va);
|
|
336
|
+
v3add(center, center, vb);
|
|
337
|
+
count += 2;
|
|
300
338
|
var linkStyle = style ? style(edgeIndex) : 0 /* Solid */;
|
|
301
339
|
if (linkStyle === 0 /* Solid */) {
|
|
302
340
|
v3scale(vm, v3add(vm, va, vb), 0.5);
|
|
@@ -354,6 +392,16 @@ export function createLinkLines(ctx, linkBuilder, props, lines) {
|
|
|
354
392
|
builder.add(va[0], va[1], va[2], vb[0], vb[1], vb[2], edgeIndex);
|
|
355
393
|
}
|
|
356
394
|
}
|
|
357
|
-
|
|
395
|
+
var oldBoundingSphere = lines ? Sphere3D.clone(lines.boundingSphere) : undefined;
|
|
396
|
+
var l = builder.getLines();
|
|
397
|
+
if (count === 0)
|
|
398
|
+
return { lines: l };
|
|
399
|
+
// re-use boundingSphere if it has not changed much
|
|
400
|
+
Vec3.scale(center, center, 1 / count);
|
|
401
|
+
if (oldBoundingSphere && Vec3.distance(center, oldBoundingSphere.center) / oldBoundingSphere.radius < 1.0) {
|
|
402
|
+
return { lines: l, boundingSphere: oldBoundingSphere };
|
|
403
|
+
}
|
|
404
|
+
else {
|
|
405
|
+
return { lines: l };
|
|
406
|
+
}
|
|
358
407
|
}
|
|
359
|
-
//# sourceMappingURL=link.js.map
|
package/lib/mol-repr/util.js
CHANGED
package/lib/mol-repr/visual.js
CHANGED
|
@@ -10,7 +10,6 @@ export declare namespace MolScriptBuilder {
|
|
|
10
10
|
'@header': string;
|
|
11
11
|
type: {
|
|
12
12
|
'@header': string;
|
|
13
|
-
/** atom macromolecular property set */
|
|
14
13
|
bool: MSymbol<import("./symbol").Arguments<import("./symbol").Arguments.PropTypes<{
|
|
15
14
|
0: import("./symbol").Argument<import("./type").Type.AnyValue>;
|
|
16
15
|
}>>, import("./type").Type.OneOf<boolean>>;
|