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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else if (arCount === 1 || (deloTriplets === null || deloTriplets === void 0 ? void 0 : deloTriplets.getThirdElement(aI, bI))) {
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exports.IntraUnitBondCylinderParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, units_visual_1.UnitsMeshParams), units_visual_1.UnitsCylindersParams), bond_1.BondCylinderParams), { sizeFactor: param_definition_1.ParamDefinition.Numeric(0.3, { min: 0, max: 10, step: 0.01 }), sizeAspectRatio: param_definition_1.ParamDefinition.Numeric(2 / 3, { min: 0, max: 3, step: 0.01 }), tryUseImpostor: param_definition_1.ParamDefinition.Boolean(true), includeParent: param_definition_1.ParamDefinition.Boolean(false) });
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? IntraUnitBondCylinderImpostorVisual(materialId)
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//# sourceMappingURL=bond-intra-unit-cylinder.js.map
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|
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"use strict";
|
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/**
|
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* Copyright (c) 2020-
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+
* Copyright (c) 2020-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
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|
*
|
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|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
6
6
|
*/
|
|
@@ -44,11 +44,15 @@ function createIntraUnitBondLines(ctx, unit, structure, theme, props, lines) {
|
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44
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|
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var _a = unit.rings, elementRingIndices = _a.elementRingIndices, elementAromaticRingIndices = _a.elementAromaticRingIndices;
|
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|
+
var deloTriplets = aromaticBonds ? unit.resonance.delocalizedTriplets : undefined;
|
|
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|
var builderProps = {
|
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|
linkCount: edgeCount * 2,
|
|
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|
referencePosition: function (edgeIndex) {
|
|
50
51
|
var _a, _b;
|
|
51
52
|
var aI = a[edgeIndex], bI = b[edgeIndex];
|
|
53
|
+
var rI = deloTriplets === null || deloTriplets === void 0 ? void 0 : deloTriplets.getThirdElement(aI, bI);
|
|
54
|
+
if (rI !== undefined)
|
|
55
|
+
return pos(elements[rI], vRef);
|
|
52
56
|
if (aI > bI)
|
|
53
57
|
_a = [bI, aI], aI = _a[0], bI = _a[1];
|
|
54
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|
if (offset[aI + 1] - offset[aI] === 1)
|
|
@@ -100,9 +104,12 @@ function createIntraUnitBondLines(ctx, unit, structure, theme, props, lines) {
|
|
|
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|
if (arCount === 2) {
|
|
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|
return 8 /* MirroredAromatic */;
|
|
102
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|
}
|
|
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|
-
else {
|
|
107
|
+
else if (arCount === 1 || (deloTriplets === null || deloTriplets === void 0 ? void 0 : deloTriplets.getThirdElement(aI, bI))) {
|
|
104
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|
return 7 /* Aromatic */;
|
|
105
109
|
}
|
|
110
|
+
else {
|
|
111
|
+
// case for bonds between two aromatic rings
|
|
112
|
+
}
|
|
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|
}
|
|
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|
}
|
|
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|
return (o !== 2 || mbOff) ? 0 /* Solid */ :
|
|
@@ -118,12 +125,17 @@ function createIntraUnitBondLines(ctx, unit, structure, theme, props, lines) {
|
|
|
118
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|
},
|
|
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|
ignore: (0, bond_1.makeIntraBondIgnoreTest)(structure, unit, props)
|
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};
|
|
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|
-
var
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|
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|
-
|
|
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|
-
|
|
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|
+
var _b = (0, link_1.createLinkLines)(ctx, builderProps, props, lines), l = _b.lines, boundingSphere = _b.boundingSphere;
|
|
129
|
+
if (boundingSphere) {
|
|
130
|
+
l.setBoundingSphere(boundingSphere);
|
|
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|
+
}
|
|
132
|
+
else if (l.lineCount > 0) {
|
|
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|
+
var sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), (childUnit !== null && childUnit !== void 0 ? childUnit : unit).boundary.sphere, 1 * sizeFactor);
|
|
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|
+
l.setBoundingSphere(sphere);
|
|
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|
+
}
|
|
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|
return l;
|
|
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|
}
|
|
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|
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exports.IntraUnitBondLineParams =
|
|
138
|
+
exports.IntraUnitBondLineParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, units_visual_1.UnitsLinesParams), bond_1.BondLineParams), { includeParent: param_definition_1.ParamDefinition.Boolean(false) });
|
|
127
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|
function IntraUnitBondLineVisual(materialId) {
|
|
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|
return (0, units_visual_1.UnitsLinesVisual)({
|
|
129
141
|
defaultProps: param_definition_1.ParamDefinition.getDefaultValues(exports.IntraUnitBondLineParams),
|
|
@@ -156,4 +168,3 @@ function IntraUnitBondLineVisual(materialId) {
|
|
|
156
168
|
}, materialId);
|
|
157
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|
}
|
|
158
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|
exports.IntraUnitBondLineVisual = IntraUnitBondLineVisual;
|
|
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|
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//# sourceMappingURL=bond-intra-unit-line.js.map
|
|
@@ -17,6 +17,7 @@ var units_visual_1 = require("../units-visual");
|
|
|
17
17
|
var param_definition_1 = require("../../../mol-util/param-definition");
|
|
18
18
|
var location_iterator_1 = require("../../../mol-geo/util/location-iterator");
|
|
19
19
|
var common_1 = require("./util/common");
|
|
20
|
+
var geometry_1 = require("../../../mol-math/geometry");
|
|
20
21
|
function createCarbohydrateLinkCylinderMesh(ctx, structure, theme, props, mesh) {
|
|
21
22
|
var _a = structure.carbohydrates, links = _a.links, elements = _a.elements;
|
|
22
23
|
var linkSizeFactor = props.linkSizeFactor;
|
|
@@ -37,9 +38,17 @@ function createCarbohydrateLinkCylinderMesh(ctx, structure, theme, props, mesh)
|
|
|
37
38
|
return theme.size.size(location) * linkSizeFactor;
|
|
38
39
|
},
|
|
39
40
|
};
|
|
40
|
-
|
|
41
|
+
var _b = (0, link_1.createLinkCylinderMesh)(ctx, builderProps, props, mesh), m = _b.mesh, boundingSphere = _b.boundingSphere;
|
|
42
|
+
if (boundingSphere) {
|
|
43
|
+
m.setBoundingSphere(boundingSphere);
|
|
44
|
+
}
|
|
45
|
+
else if (m.triangleCount > 0) {
|
|
46
|
+
var sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), structure.boundary.sphere, 1 * linkSizeFactor);
|
|
47
|
+
m.setBoundingSphere(sphere);
|
|
48
|
+
}
|
|
49
|
+
return m;
|
|
41
50
|
}
|
|
42
|
-
exports.CarbohydrateLinkParams =
|
|
51
|
+
exports.CarbohydrateLinkParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, units_visual_1.UnitsMeshParams), link_1.LinkCylinderParams), { linkSizeFactor: param_definition_1.ParamDefinition.Numeric(0.3, { min: 0, max: 3, step: 0.01 }) });
|
|
43
52
|
function CarbohydrateLinkVisual(materialId) {
|
|
44
53
|
return (0, complex_visual_1.ComplexMeshVisual)({
|
|
45
54
|
defaultProps: param_definition_1.ParamDefinition.getDefaultValues(exports.CarbohydrateLinkParams),
|
|
@@ -110,4 +119,3 @@ function eachCarbohydrateLink(loci, structure, apply) {
|
|
|
110
119
|
}
|
|
111
120
|
return changed;
|
|
112
121
|
}
|
|
113
|
-
//# sourceMappingURL=carbohydrate-link-cylinder.js.map
|
|
@@ -145,7 +145,7 @@ function createCarbohydrateSymbolMesh(ctx, structure, theme, props, mesh) {
|
|
|
145
145
|
}
|
|
146
146
|
return mesh_builder_1.MeshBuilder.getMesh(builderState);
|
|
147
147
|
}
|
|
148
|
-
exports.CarbohydrateSymbolParams =
|
|
148
|
+
exports.CarbohydrateSymbolParams = tslib_1.__assign(tslib_1.__assign({}, complex_visual_1.ComplexMeshParams), { detail: param_definition_1.ParamDefinition.Numeric(0, { min: 0, max: 3, step: 1 }, base_1.BaseGeometry.CustomQualityParamInfo), sizeFactor: param_definition_1.ParamDefinition.Numeric(1.75, { min: 0, max: 10, step: 0.01 }) });
|
|
149
149
|
function CarbohydrateSymbolVisual(materialId) {
|
|
150
150
|
return (0, complex_visual_1.ComplexMeshVisual)({
|
|
151
151
|
defaultProps: param_definition_1.ParamDefinition.getDefaultValues(exports.CarbohydrateSymbolParams),
|
|
@@ -216,4 +216,3 @@ function eachCarbohydrate(loci, structure, apply) {
|
|
|
216
216
|
}
|
|
217
217
|
return changed;
|
|
218
218
|
}
|
|
219
|
-
//# sourceMappingURL=carbohydrate-symbol-mesh.js.map
|
|
@@ -18,6 +18,7 @@ var int_1 = require("../../../mol-data/int");
|
|
|
18
18
|
var loci_1 = require("../../../mol-model/loci");
|
|
19
19
|
var common_1 = require("../../../mol-model/structure/structure/unit/bonds/common");
|
|
20
20
|
var common_2 = require("./util/common");
|
|
21
|
+
var geometry_1 = require("../../../mol-math/geometry");
|
|
21
22
|
function createCarbohydrateTerminalLinkCylinderMesh(ctx, structure, theme, props, mesh) {
|
|
22
23
|
var _a = structure.carbohydrates, terminalLinks = _a.terminalLinks, elements = _a.elements;
|
|
23
24
|
var terminalLinkSizeFactor = props.terminalLinkSizeFactor;
|
|
@@ -56,9 +57,17 @@ function createCarbohydrateTerminalLinkCylinderMesh(ctx, structure, theme, props
|
|
|
56
57
|
return common_1.MetalsSet.has(beI) ? 1 /* Dashed */ : 0 /* Solid */;
|
|
57
58
|
}
|
|
58
59
|
};
|
|
59
|
-
|
|
60
|
+
var _b = (0, link_1.createLinkCylinderMesh)(ctx, builderProps, props, mesh), m = _b.mesh, boundingSphere = _b.boundingSphere;
|
|
61
|
+
if (boundingSphere) {
|
|
62
|
+
m.setBoundingSphere(boundingSphere);
|
|
63
|
+
}
|
|
64
|
+
else if (m.triangleCount > 0) {
|
|
65
|
+
var sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), structure.boundary.sphere, 1 * terminalLinkSizeFactor);
|
|
66
|
+
m.setBoundingSphere(sphere);
|
|
67
|
+
}
|
|
68
|
+
return m;
|
|
60
69
|
}
|
|
61
|
-
exports.CarbohydrateTerminalLinkParams =
|
|
70
|
+
exports.CarbohydrateTerminalLinkParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, units_visual_1.UnitsMeshParams), link_1.LinkCylinderParams), { terminalLinkSizeFactor: param_definition_1.ParamDefinition.Numeric(0.2, { min: 0, max: 3, step: 0.01 }) });
|
|
62
71
|
function CarbohydrateTerminalLinkVisual(materialId) {
|
|
63
72
|
return (0, complex_visual_1.ComplexMeshVisual)({
|
|
64
73
|
defaultProps: param_definition_1.ParamDefinition.getDefaultValues(exports.CarbohydrateTerminalLinkParams),
|
|
@@ -134,4 +143,3 @@ function eachTerminalLink(loci, structure, apply) {
|
|
|
134
143
|
}
|
|
135
144
|
return changed;
|
|
136
145
|
}
|
|
137
|
-
//# sourceMappingURL=carbohydrate-terminal-link-cylinder.js.map
|
|
@@ -21,7 +21,7 @@ var v3scaleAndAdd = linear_algebra_1.Vec3.scaleAndAdd;
|
|
|
21
21
|
var v3unitX = linear_algebra_1.Vec3.unitX;
|
|
22
22
|
var v3unitY = linear_algebra_1.Vec3.unitY;
|
|
23
23
|
var v3unitZ = linear_algebra_1.Vec3.unitZ;
|
|
24
|
-
exports.ElementCrossParams =
|
|
24
|
+
exports.ElementCrossParams = tslib_1.__assign(tslib_1.__assign({}, units_visual_1.UnitsLinesParams), { lineSizeAttenuation: param_definition_1.ParamDefinition.Boolean(false), ignoreHydrogens: param_definition_1.ParamDefinition.Boolean(false), traceOnly: param_definition_1.ParamDefinition.Boolean(false), crosses: param_definition_1.ParamDefinition.Select('lone', param_definition_1.ParamDefinition.arrayToOptions(['lone', 'all'])), crossSize: param_definition_1.ParamDefinition.Numeric(0.35, { min: 0, max: 2, step: 0.01 }) });
|
|
25
25
|
function createElementCross(ctx, unit, structure, theme, props, lines) {
|
|
26
26
|
var child = structure.child;
|
|
27
27
|
if (child && !child.unitMap.get(unit.id))
|
|
@@ -74,4 +74,3 @@ function ElementCrossVisual(materialId) {
|
|
|
74
74
|
}, materialId);
|
|
75
75
|
}
|
|
76
76
|
exports.ElementCrossVisual = ElementCrossVisual;
|
|
77
|
-
//# sourceMappingURL=element-cross.js.map
|
|
@@ -1,6 +1,6 @@
|
|
|
1
1
|
"use strict";
|
|
2
2
|
/**
|
|
3
|
-
* Copyright (c) 2018-
|
|
3
|
+
* Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
4
4
|
*
|
|
5
5
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
6
6
|
*/
|
|
@@ -14,7 +14,9 @@ var points_builder_1 = require("../../../mol-geo/geometry/points/points-builder"
|
|
|
14
14
|
var linear_algebra_1 = require("../../../mol-math/linear-algebra");
|
|
15
15
|
var element_1 = require("./util/element");
|
|
16
16
|
var geometry_1 = require("../../../mol-math/geometry");
|
|
17
|
-
|
|
17
|
+
// avoiding namespace lookup improved performance in Chrome (Aug 2020)
|
|
18
|
+
var v3add = linear_algebra_1.Vec3.add;
|
|
19
|
+
exports.ElementPointParams = tslib_1.__assign(tslib_1.__assign({}, units_visual_1.UnitsPointsParams), { pointSizeAttenuation: param_definition_1.ParamDefinition.Boolean(false), ignoreHydrogens: param_definition_1.ParamDefinition.Boolean(false), traceOnly: param_definition_1.ParamDefinition.Boolean(false) });
|
|
18
20
|
// TODO size
|
|
19
21
|
function createElementPoint(ctx, unit, structure, theme, props, points) {
|
|
20
22
|
// TODO sizeFactor
|
|
@@ -27,23 +29,40 @@ function createElementPoint(ctx, unit, structure, theme, props, points) {
|
|
|
27
29
|
var p = (0, linear_algebra_1.Vec3)();
|
|
28
30
|
var pos = unit.conformation.invariantPosition;
|
|
29
31
|
var ignore = (0, element_1.makeElementIgnoreTest)(structure, unit, props);
|
|
32
|
+
var center = (0, linear_algebra_1.Vec3)();
|
|
33
|
+
var count = 0;
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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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else {
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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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}
|
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}
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var oldBoundingSphere = points ? geometry_1.Sphere3D.clone(points.boundingSphere) : undefined;
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|
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-
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return pt;
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// re-use boundingSphere if it has not changed much
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var boundingSphere;
|
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linear_algebra_1.Vec3.scale(center, center, 1 / count);
|
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if (oldBoundingSphere && linear_algebra_1.Vec3.distance(center, oldBoundingSphere.center) / oldBoundingSphere.radius < 1.0) {
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}
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else {
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boundingSphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), unit.boundary.sphere, 1 * props.sizeFactor);
|
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}
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pt.setBoundingSphere(boundingSphere);
|
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return pt;
|
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}
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exports.createElementPoint = createElementPoint;
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@@ -61,4 +80,3 @@ function ElementPointVisual(materialId) {
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}, materialId);
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}
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exports.ElementPointVisual = ElementPointVisual;
|
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|
-
//# sourceMappingURL=element-point.js.map
|
|
@@ -12,7 +12,7 @@ var param_definition_1 = require("../../../mol-util/param-definition");
|
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12
12
|
var units_visual_1 = require("../units-visual");
|
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var element_1 = require("./util/element");
|
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var base_1 = require("../../../mol-geo/geometry/base");
|
|
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|
-
exports.ElementSphereParams =
|
|
15
|
+
exports.ElementSphereParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, units_visual_1.UnitsMeshParams), units_visual_1.UnitsSpheresParams), { sizeFactor: param_definition_1.ParamDefinition.Numeric(1, { min: 0, max: 10, step: 0.1 }), detail: param_definition_1.ParamDefinition.Numeric(0, { min: 0, max: 3, step: 1 }, base_1.BaseGeometry.CustomQualityParamInfo), ignoreHydrogens: param_definition_1.ParamDefinition.Boolean(false), traceOnly: param_definition_1.ParamDefinition.Boolean(false), tryUseImpostor: param_definition_1.ParamDefinition.Boolean(true) });
|
|
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16
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function ElementSphereVisual(materialId, structure, props, webgl) {
|
|
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|
return props.tryUseImpostor && webgl && webgl.extensions.fragDepth
|
|
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18
|
? ElementSphereImpostorVisual(materialId)
|
|
@@ -55,4 +55,3 @@ function ElementSphereMeshVisual(materialId) {
|
|
|
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|
}, materialId);
|
|
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|
}
|
|
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|
exports.ElementSphereMeshVisual = ElementSphereMeshVisual;
|
|
58
|
-
//# sourceMappingURL=element-sphere.js.map
|
|
@@ -23,7 +23,7 @@ var sphere_2 = require("../../../mol-geo/geometry/mesh/builder/sphere");
|
|
|
23
23
|
var geometry_1 = require("../../../mol-math/geometry");
|
|
24
24
|
var base_1 = require("../../../mol-geo/geometry/base");
|
|
25
25
|
var sorted_array_1 = require("../../../mol-data/int/sorted-array");
|
|
26
|
-
exports.EllipsoidMeshParams =
|
|
26
|
+
exports.EllipsoidMeshParams = tslib_1.__assign(tslib_1.__assign({}, units_visual_1.UnitsMeshParams), { sizeFactor: param_definition_1.ParamDefinition.Numeric(1, { min: 0, max: 10, step: 0.1 }), detail: param_definition_1.ParamDefinition.Numeric(0, { min: 0, max: 3, step: 1 }, base_1.BaseGeometry.CustomQualityParamInfo), ignoreHydrogens: param_definition_1.ParamDefinition.Boolean(false) });
|
|
27
27
|
function EllipsoidMeshVisual(materialId) {
|
|
28
28
|
return (0, units_visual_1.UnitsMeshVisual)({
|
|
29
29
|
defaultProps: param_definition_1.ParamDefinition.getDefaultValues(exports.EllipsoidMeshParams),
|
|
@@ -99,4 +99,3 @@ function createEllipsoidMesh(ctx, unit, structure, theme, props, mesh) {
|
|
|
99
99
|
return m;
|
|
100
100
|
}
|
|
101
101
|
exports.createEllipsoidMesh = createEllipsoidMesh;
|
|
102
|
-
//# sourceMappingURL=ellipsoid-mesh.js.map
|
|
@@ -17,9 +17,9 @@ var geometry_1 = require("../../../mol-math/geometry");
|
|
|
17
17
|
var units_visual_1 = require("../units-visual");
|
|
18
18
|
var common_1 = require("./util/common");
|
|
19
19
|
function createGaussianDensityVolume(ctx, structure, theme, props, directVolume) {
|
|
20
|
-
return
|
|
20
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
21
21
|
var runtime, webgl, oldTexture, densityTextureData, transform, texture, bbox, gridDim, stats, unitToCartn, cellDim, axisOrder, vol, sphere;
|
|
22
|
-
return
|
|
22
|
+
return tslib_1.__generator(this, function (_a) {
|
|
23
23
|
switch (_a.label) {
|
|
24
24
|
case 0:
|
|
25
25
|
runtime = ctx.runtime, webgl = ctx.webgl;
|
|
@@ -43,7 +43,7 @@ function createGaussianDensityVolume(ctx, structure, theme, props, directVolume)
|
|
|
43
43
|
});
|
|
44
44
|
});
|
|
45
45
|
}
|
|
46
|
-
exports.GaussianDensityVolumeParams =
|
|
46
|
+
exports.GaussianDensityVolumeParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, complex_visual_1.ComplexDirectVolumeParams), gaussian_1.GaussianDensityParams), { ignoreHydrogens: param_definition_1.ParamDefinition.Boolean(false), includeParent: param_definition_1.ParamDefinition.Boolean(false, { isHidden: true }) });
|
|
47
47
|
function GaussianDensityVolumeVisual(materialId) {
|
|
48
48
|
return (0, complex_visual_1.ComplexDirectVolumeVisual)({
|
|
49
49
|
defaultProps: param_definition_1.ParamDefinition.getDefaultValues(exports.GaussianDensityVolumeParams),
|
|
@@ -73,9 +73,9 @@ function GaussianDensityVolumeVisual(materialId) {
|
|
|
73
73
|
exports.GaussianDensityVolumeVisual = GaussianDensityVolumeVisual;
|
|
74
74
|
//
|
|
75
75
|
function createUnitsGaussianDensityVolume(ctx, unit, structure, theme, props, directVolume) {
|
|
76
|
-
return
|
|
76
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
77
77
|
var runtime, webgl, oldTexture, densityTextureData, transform, texture, bbox, gridDim, stats, unitToCartn, cellDim, axisOrder, vol, sphere;
|
|
78
|
-
return
|
|
78
|
+
return tslib_1.__generator(this, function (_a) {
|
|
79
79
|
switch (_a.label) {
|
|
80
80
|
case 0:
|
|
81
81
|
runtime = ctx.runtime, webgl = ctx.webgl;
|
|
@@ -102,7 +102,7 @@ function createUnitsGaussianDensityVolume(ctx, unit, structure, theme, props, di
|
|
|
102
102
|
});
|
|
103
103
|
});
|
|
104
104
|
}
|
|
105
|
-
exports.UnitsGaussianDensityVolumeParams =
|
|
105
|
+
exports.UnitsGaussianDensityVolumeParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, units_visual_1.UnitsDirectVolumeParams), gaussian_1.GaussianDensityParams), { ignoreHydrogens: param_definition_1.ParamDefinition.Boolean(false), includeParent: param_definition_1.ParamDefinition.Boolean(false, { isHidden: true }) });
|
|
106
106
|
function UnitsGaussianDensityVolumeVisual(materialId) {
|
|
107
107
|
return (0, units_visual_1.UnitsDirectVolumeVisual)({
|
|
108
108
|
defaultProps: param_definition_1.ParamDefinition.getDefaultValues(exports.UnitsGaussianDensityVolumeParams),
|
|
@@ -130,4 +130,3 @@ function UnitsGaussianDensityVolumeVisual(materialId) {
|
|
|
130
130
|
}, materialId);
|
|
131
131
|
}
|
|
132
132
|
exports.UnitsGaussianDensityVolumeVisual = UnitsGaussianDensityVolumeVisual;
|
|
133
|
-
//# sourceMappingURL=gaussian-density-volume.js.map
|
|
@@ -22,9 +22,9 @@ var color_smoothing_1 = require("../../../mol-geo/geometry/mesh/color-smoothing"
|
|
|
22
22
|
var color_smoothing_2 = require("../../../mol-geo/geometry/texture-mesh/color-smoothing");
|
|
23
23
|
var base_1 = require("../../../mol-geo/geometry/base");
|
|
24
24
|
var linear_algebra_1 = require("../../../mol-math/linear-algebra");
|
|
25
|
-
var SharedParams =
|
|
26
|
-
exports.GaussianSurfaceMeshParams =
|
|
27
|
-
exports.StructureGaussianSurfaceMeshParams =
|
|
25
|
+
var SharedParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, gaussian_1.GaussianDensityParams), base_1.ColorSmoothingParams), { ignoreHydrogens: param_definition_1.ParamDefinition.Boolean(false), tryUseGpu: param_definition_1.ParamDefinition.Boolean(true), includeParent: param_definition_1.ParamDefinition.Boolean(false, { isHidden: true }) });
|
|
26
|
+
exports.GaussianSurfaceMeshParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, units_visual_1.UnitsMeshParams), units_visual_1.UnitsTextureMeshParams), SharedParams);
|
|
27
|
+
exports.StructureGaussianSurfaceMeshParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, complex_visual_1.ComplexMeshParams), complex_visual_1.ComplexTextureMeshParams), SharedParams);
|
|
28
28
|
function gpuSupport(webgl) {
|
|
29
29
|
return webgl.extensions.colorBufferFloat && webgl.extensions.textureFloat && webgl.extensions.blendMinMax && webgl.extensions.drawBuffers;
|
|
30
30
|
}
|
|
@@ -55,9 +55,9 @@ function StructureGaussianSurfaceVisual(materialId, structure, props, webgl) {
|
|
|
55
55
|
exports.StructureGaussianSurfaceVisual = StructureGaussianSurfaceVisual;
|
|
56
56
|
//
|
|
57
57
|
function createGaussianSurfaceMesh(ctx, unit, structure, theme, props, mesh) {
|
|
58
|
-
return
|
|
58
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
59
59
|
var smoothness, _a, transform, field, idField, radiusFactor, resolution, params, surface, sphere;
|
|
60
|
-
return
|
|
60
|
+
return tslib_1.__generator(this, function (_b) {
|
|
61
61
|
switch (_b.label) {
|
|
62
62
|
case 0:
|
|
63
63
|
smoothness = props.smoothness;
|
|
@@ -133,9 +133,9 @@ function GaussianSurfaceMeshVisual(materialId) {
|
|
|
133
133
|
exports.GaussianSurfaceMeshVisual = GaussianSurfaceMeshVisual;
|
|
134
134
|
//
|
|
135
135
|
function createStructureGaussianSurfaceMesh(ctx, structure, theme, props, mesh) {
|
|
136
|
-
return
|
|
136
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
137
137
|
var smoothness, _a, transform, field, idField, radiusFactor, resolution, params, surface, sphere;
|
|
138
|
-
return
|
|
138
|
+
return tslib_1.__generator(this, function (_b) {
|
|
139
139
|
switch (_b.label) {
|
|
140
140
|
case 0:
|
|
141
141
|
smoothness = props.smoothness;
|
|
@@ -210,9 +210,9 @@ exports.StructureGaussianSurfaceMeshVisual = StructureGaussianSurfaceMeshVisual;
|
|
|
210
210
|
//
|
|
211
211
|
var GaussianSurfaceName = 'gaussian-surface';
|
|
212
212
|
function createGaussianSurfaceTextureMesh(ctx, unit, structure, theme, props, textureMesh) {
|
|
213
|
-
return
|
|
213
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
214
214
|
var _a, namedTextures, resources, _b, colorBufferFloat, textureFloat, colorBufferHalfFloat, textureHalfFloat, densityTextureData, isoLevel, axisOrder, buffer, gv, boundingSphere, surface;
|
|
215
|
-
return
|
|
215
|
+
return tslib_1.__generator(this, function (_c) {
|
|
216
216
|
switch (_c.label) {
|
|
217
217
|
case 0:
|
|
218
218
|
if (!ctx.webgl)
|
|
@@ -294,9 +294,9 @@ function GaussianSurfaceTextureMeshVisual(materialId) {
|
|
|
294
294
|
exports.GaussianSurfaceTextureMeshVisual = GaussianSurfaceTextureMeshVisual;
|
|
295
295
|
//
|
|
296
296
|
function createStructureGaussianSurfaceTextureMesh(ctx, structure, theme, props, textureMesh) {
|
|
297
|
-
return
|
|
297
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
298
298
|
var _a, namedTextures, resources, _b, colorBufferFloat, textureFloat, colorBufferHalfFloat, textureHalfFloat, densityTextureData, isoLevel, axisOrder, buffer, gv, boundingSphere, surface;
|
|
299
|
-
return
|
|
299
|
+
return tslib_1.__generator(this, function (_c) {
|
|
300
300
|
switch (_c.label) {
|
|
301
301
|
case 0:
|
|
302
302
|
if (!ctx.webgl)
|
|
@@ -376,4 +376,3 @@ function StructureGaussianSurfaceTextureMeshVisual(materialId) {
|
|
|
376
376
|
}, materialId);
|
|
377
377
|
}
|
|
378
378
|
exports.StructureGaussianSurfaceTextureMeshVisual = StructureGaussianSurfaceTextureMeshVisual;
|
|
379
|
-
//# sourceMappingURL=gaussian-surface-mesh.js.map
|
|
@@ -16,9 +16,9 @@ var element_1 = require("./util/element");
|
|
|
16
16
|
var geometry_1 = require("../../../mol-math/geometry");
|
|
17
17
|
var common_1 = require("./util/common");
|
|
18
18
|
function createGaussianWireframe(ctx, unit, structure, theme, props, lines) {
|
|
19
|
-
return
|
|
19
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
20
20
|
var smoothness, _a, transform, field, idField, params, wireframe, sphere;
|
|
21
|
-
return
|
|
21
|
+
return tslib_1.__generator(this, function (_b) {
|
|
22
22
|
switch (_b.label) {
|
|
23
23
|
case 0:
|
|
24
24
|
smoothness = props.smoothness;
|
|
@@ -41,7 +41,7 @@ function createGaussianWireframe(ctx, unit, structure, theme, props, lines) {
|
|
|
41
41
|
});
|
|
42
42
|
});
|
|
43
43
|
}
|
|
44
|
-
exports.GaussianWireframeParams =
|
|
44
|
+
exports.GaussianWireframeParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, units_visual_1.UnitsLinesParams), gaussian_1.GaussianDensityParams), { sizeFactor: param_definition_1.ParamDefinition.Numeric(3, { min: 0, max: 10, step: 0.1 }), lineSizeAttenuation: param_definition_1.ParamDefinition.Boolean(false), ignoreHydrogens: param_definition_1.ParamDefinition.Boolean(false), includeParent: param_definition_1.ParamDefinition.Boolean(false, { isHidden: true }) });
|
|
45
45
|
function GaussianWireframeVisual(materialId) {
|
|
46
46
|
return (0, units_visual_1.UnitsLinesVisual)({
|
|
47
47
|
defaultProps: param_definition_1.ParamDefinition.getDefaultValues(exports.GaussianWireframeParams),
|
|
@@ -66,4 +66,3 @@ function GaussianWireframeVisual(materialId) {
|
|
|
66
66
|
}, materialId);
|
|
67
67
|
}
|
|
68
68
|
exports.GaussianWireframeVisual = GaussianWireframeVisual;
|
|
69
|
-
//# sourceMappingURL=gaussian-surface-wireframe.js.map
|