molstar 2.3.9 → 3.0.0-dev.10
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/README.md +18 -0
- package/build/viewer/embedded.html +5 -5
- package/build/viewer/index.html +29 -17
- package/build/viewer/molstar.css +1 -1
- package/build/viewer/molstar.js +1 -1
- package/lib/apps/docking-viewer/index.d.ts +2 -1
- package/lib/apps/docking-viewer/index.html +8 -8
- package/lib/apps/docking-viewer/index.js +87 -74
- package/lib/apps/docking-viewer/viewport.d.ts +2 -2
- package/lib/apps/docking-viewer/viewport.js +18 -15
- package/lib/apps/viewer/app.d.ts +230 -0
- package/lib/apps/viewer/app.js +515 -0
- package/lib/apps/viewer/embedded.html +5 -5
- package/lib/apps/viewer/index.d.ts +2 -403
- package/lib/apps/viewer/index.html +29 -17
- package/lib/apps/viewer/index.js +2 -420
- package/lib/cli/chem-comp-dict/util.d.ts +4 -4
- package/lib/cli/cifschema/index.d.ts +1 -1
- package/lib/cli/cifschema/index.js +15 -35
- package/lib/cli/cifschema/util/cif-dic.js +1 -0
- package/lib/commonjs/apps/docking-viewer/index.d.ts +2 -1
- package/lib/commonjs/apps/docking-viewer/index.js +86 -73
- package/lib/commonjs/apps/docking-viewer/viewport.d.ts +2 -2
- package/lib/commonjs/apps/docking-viewer/viewport.js +18 -15
- package/lib/commonjs/apps/viewer/app.d.ts +230 -0
- package/lib/commonjs/apps/viewer/app.js +521 -0
- package/lib/commonjs/apps/viewer/index.d.ts +2 -403
- package/lib/commonjs/apps/viewer/index.js +2 -423
- package/lib/commonjs/cli/chem-comp-dict/util.d.ts +4 -4
- package/lib/commonjs/cli/cifschema/index.d.ts +1 -1
- package/lib/commonjs/cli/cifschema/index.js +15 -35
- package/lib/commonjs/cli/cifschema/util/cif-dic.js +1 -0
- package/lib/commonjs/examples/alpha-orbitals/index.js +3 -4
- package/lib/commonjs/examples/basic-wrapper/index.js +30 -14
- package/lib/commonjs/examples/lighting/index.d.ts +1 -1
- package/lib/commonjs/examples/lighting/index.js +58 -41
- package/lib/commonjs/examples/proteopedia-wrapper/index.js +33 -15
- package/lib/commonjs/extensions/alpha-orbitals/transforms.d.ts +0 -1
- package/lib/commonjs/extensions/alpha-orbitals/transforms.js +1 -14
- package/lib/commonjs/extensions/anvil/behavior.d.ts +13 -2
- package/lib/commonjs/extensions/anvil/representation.d.ts +88 -5
- package/lib/commonjs/extensions/anvil/representation.js +1 -1
- package/lib/commonjs/extensions/cellpack/model.d.ts +1 -1
- package/lib/commonjs/extensions/cellpack/representation.d.ts +19 -2
- package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.d.ts +1 -1
- package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.d.ts +57 -6
- package/lib/commonjs/extensions/geo-export/controls.js +16 -18
- package/lib/commonjs/extensions/geo-export/glb-exporter.d.ts +5 -3
- package/lib/commonjs/extensions/geo-export/glb-exporter.js +49 -27
- package/lib/commonjs/extensions/geo-export/mesh-exporter.d.ts +31 -2
- package/lib/commonjs/extensions/geo-export/mesh-exporter.js +91 -19
- package/lib/commonjs/extensions/geo-export/obj-exporter.d.ts +1 -0
- package/lib/commonjs/extensions/geo-export/obj-exporter.js +24 -15
- package/lib/commonjs/extensions/geo-export/ui.js +24 -20
- package/lib/commonjs/extensions/geo-export/usdz-exporter.d.ts +3 -5
- package/lib/commonjs/extensions/geo-export/usdz-exporter.js +39 -30
- package/lib/commonjs/extensions/model-archive/quality-assessment/behavior.d.ts +68 -0
- package/lib/commonjs/extensions/model-archive/quality-assessment/behavior.js +236 -0
- package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.d.ts +14 -0
- package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.js +125 -0
- package/lib/commonjs/extensions/model-archive/quality-assessment/color/qmean.d.ts +12 -0
- package/lib/commonjs/extensions/model-archive/quality-assessment/color/qmean.js +111 -0
- package/lib/commonjs/extensions/model-archive/quality-assessment/prop.d.ts +28 -0
- package/lib/commonjs/extensions/model-archive/quality-assessment/prop.js +130 -0
- package/lib/commonjs/extensions/mp4-export/controls.d.ts +1 -0
- package/lib/commonjs/extensions/mp4-export/controls.js +10 -8
- package/lib/commonjs/extensions/mp4-export/encoder.js +1 -1
- package/lib/commonjs/extensions/mp4-export/ui.js +7 -6
- package/lib/commonjs/extensions/pdbe/structure-quality-report/prop.js +1 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.d.ts +17 -6
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.d.ts +12 -12
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/prop.js +1 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.d.ts +18 -1
- package/lib/commonjs/extensions/rcsb/graphql/types.d.ts +24 -23
- package/lib/commonjs/extensions/rcsb/validation-report/behavior.d.ts +3 -3
- package/lib/commonjs/extensions/rcsb/validation-report/prop.js +1 -1
- package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +95 -10
- package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +39 -27
- package/lib/commonjs/mol-canvas3d/canvas3d.js +37 -25
- package/lib/commonjs/mol-canvas3d/controls/trackball.d.ts +9 -4
- package/lib/commonjs/mol-canvas3d/controls/trackball.js +50 -11
- package/lib/commonjs/mol-canvas3d/helper/bounding-sphere-helper.js +3 -2
- package/lib/commonjs/mol-canvas3d/helper/camera-helper.d.ts +14 -3
- package/lib/commonjs/mol-canvas3d/helper/camera-helper.js +2 -2
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.d.ts +12 -1
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.js +2 -2
- package/lib/commonjs/mol-canvas3d/helper/helper.d.ts +8 -0
- package/lib/commonjs/mol-canvas3d/passes/draw.d.ts +13 -1
- package/lib/commonjs/mol-canvas3d/passes/draw.js +19 -26
- package/lib/commonjs/mol-canvas3d/passes/image.d.ts +7 -2
- package/lib/commonjs/mol-canvas3d/passes/image.js +3 -2
- package/lib/commonjs/mol-canvas3d/passes/marking.js +1 -1
- package/lib/commonjs/mol-canvas3d/passes/multi-sample.d.ts +10 -2
- package/lib/commonjs/mol-canvas3d/passes/multi-sample.js +18 -14
- package/lib/commonjs/mol-canvas3d/passes/pick.js +12 -12
- package/lib/commonjs/mol-canvas3d/passes/postprocessing.d.ts +1 -0
- package/lib/commonjs/mol-canvas3d/passes/postprocessing.js +6 -4
- package/lib/commonjs/mol-canvas3d/passes/smaa.js +1 -1
- package/lib/commonjs/mol-data/int/impl/sorted-array.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/base.d.ts +46 -6
- package/lib/commonjs/mol-geo/geometry/base.js +69 -7
- package/lib/commonjs/mol-geo/geometry/clipping-data.d.ts +1 -3
- package/lib/commonjs/mol-geo/geometry/clipping-data.js +3 -8
- package/lib/commonjs/mol-geo/geometry/color-data.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/color-data.js +22 -0
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +18 -1
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.js +7 -3
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.d.ts +21 -39
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +24 -68
- package/lib/commonjs/mol-geo/geometry/direct-volume/transfer-function.d.ts +2 -4
- package/lib/commonjs/mol-geo/geometry/direct-volume/transfer-function.js +4 -7
- package/lib/commonjs/mol-geo/geometry/image/image.d.ts +16 -1
- package/lib/commonjs/mol-geo/geometry/image/image.js +3 -1
- package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +17 -1
- package/lib/commonjs/mol-geo/geometry/lines/lines.js +3 -1
- package/lib/commonjs/mol-geo/geometry/marker-data.d.ts +0 -1
- package/lib/commonjs/mol-geo/geometry/marker-data.js +13 -9
- package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.js +18 -8
- package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.d.ts +10 -2
- package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.js +188 -35
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.d.ts +18 -1
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +7 -3
- package/lib/commonjs/mol-geo/geometry/overpaint-data.d.ts +7 -2
- package/lib/commonjs/mol-geo/geometry/overpaint-data.js +10 -1
- package/lib/commonjs/mol-geo/geometry/points/points.d.ts +18 -3
- package/lib/commonjs/mol-geo/geometry/points/points.js +3 -1
- package/lib/commonjs/mol-geo/geometry/size-data.js +5 -5
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +18 -2
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.js +7 -3
- package/lib/commonjs/mol-geo/geometry/substance-data.d.ts +23 -0
- package/lib/commonjs/mol-geo/geometry/substance-data.js +68 -0
- package/lib/commonjs/mol-geo/geometry/text/text.d.ts +16 -1
- package/lib/commonjs/mol-geo/geometry/text/text.js +3 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.d.ts +8 -3
- package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js +194 -27
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +21 -2
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +8 -3
- package/lib/commonjs/mol-geo/geometry/transparency-data.d.ts +7 -2
- package/lib/commonjs/mol-geo/geometry/transparency-data.js +10 -1
- package/lib/commonjs/mol-gl/compute/histogram-pyramid/sum.js +2 -2
- package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.d.ts +2 -2
- package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.js +13 -12
- package/lib/commonjs/mol-gl/compute/util.d.ts +25 -6
- package/lib/commonjs/mol-gl/compute/util.js +76 -21
- package/lib/commonjs/mol-gl/render-object.d.ts +2 -1
- package/lib/commonjs/mol-gl/render-object.js +10 -10
- package/lib/commonjs/mol-gl/renderable/cylinders.d.ts +51 -24
- package/lib/commonjs/mol-gl/renderable/cylinders.js +4 -4
- package/lib/commonjs/mol-gl/renderable/direct-volume.d.ts +34 -14
- package/lib/commonjs/mol-gl/renderable/direct-volume.js +3 -3
- package/lib/commonjs/mol-gl/renderable/image.d.ts +29 -4
- package/lib/commonjs/mol-gl/renderable/image.js +2 -2
- package/lib/commonjs/mol-gl/renderable/lines.d.ts +48 -23
- package/lib/commonjs/mol-gl/renderable/lines.js +3 -3
- package/lib/commonjs/mol-gl/renderable/mesh.d.ts +48 -21
- package/lib/commonjs/mol-gl/renderable/mesh.js +4 -4
- package/lib/commonjs/mol-gl/renderable/points.d.ts +29 -4
- package/lib/commonjs/mol-gl/renderable/points.js +3 -4
- package/lib/commonjs/mol-gl/renderable/schema.d.ts +51 -16
- package/lib/commonjs/mol-gl/renderable/schema.js +26 -20
- package/lib/commonjs/mol-gl/renderable/spheres.d.ts +51 -24
- package/lib/commonjs/mol-gl/renderable/spheres.js +4 -4
- package/lib/commonjs/mol-gl/renderable/text.d.ts +29 -4
- package/lib/commonjs/mol-gl/renderable/text.js +2 -2
- package/lib/commonjs/mol-gl/renderable/texture-mesh.d.ts +46 -19
- package/lib/commonjs/mol-gl/renderable/texture-mesh.js +3 -3
- package/lib/commonjs/mol-gl/renderable.d.ts +0 -1
- package/lib/commonjs/mol-gl/renderer.d.ts +20 -26
- package/lib/commonjs/mol-gl/renderer.js +76 -150
- package/lib/commonjs/mol-gl/scene.d.ts +2 -2
- package/lib/commonjs/mol-gl/scene.js +7 -5
- package/lib/commonjs/mol-gl/shader/chunks/apply-light-color.glsl.d.ts +3 -3
- package/lib/commonjs/mol-gl/shader/chunks/apply-light-color.glsl.js +3 -3
- package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-group.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-group.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-marker-varying.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-marker-varying.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-position.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-position.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-size.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-size.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/color-frag-params.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/color-frag-params.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/common-clip.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/common-clip.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/common-frag-params.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/common-frag-params.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/common-vert-params.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/common-vert-params.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/common.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/common.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/light-frag-params.glsl.d.ts +3 -3
- package/lib/commonjs/mol-gl/shader/chunks/light-frag-params.glsl.js +3 -3
- package/lib/commonjs/mol-gl/shader/chunks/wboit-write.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/wboit-write.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.vert.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.vert.js +1 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/normalize.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/normalize.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/cylinders.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/cylinders.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/direct-volume.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/direct-volume.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/gaussian-density.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/gaussian-density.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/histogram-pyramid/reduction.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/histogram-pyramid/reduction.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/image.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/image.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/marching-cubes/isosurface.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/marching-cubes/isosurface.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/mesh.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/mesh.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/mesh.vert.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/mesh.vert.js +1 -1
- package/lib/commonjs/mol-gl/shader/postprocessing.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/postprocessing.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/spheres.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/spheres.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader-code.d.ts +3 -2
- package/lib/commonjs/mol-gl/shader-code.js +70 -23
- package/lib/commonjs/mol-gl/webgl/context.d.ts +1 -1
- package/lib/commonjs/mol-gl/webgl/extensions.js +3 -9
- package/lib/commonjs/mol-gl/webgl/render-item.d.ts +7 -6
- package/lib/commonjs/mol-gl/webgl/render-item.js +10 -8
- package/lib/commonjs/mol-gl/webgl/resources.js +9 -2
- package/lib/commonjs/mol-gl/webgl/vertex-array.d.ts +3 -2
- package/lib/commonjs/mol-gl/webgl/vertex-array.js +9 -2
- package/lib/commonjs/mol-io/reader/cif/schema/bird.d.ts +2 -2
- package/lib/commonjs/mol-io/reader/cif/schema/bird.js +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/ccd.d.ts +3 -3
- package/lib/commonjs/mol-io/reader/cif/schema/ccd.js +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/cif-core.d.ts +8 -5
- package/lib/commonjs/mol-io/reader/cif/schema/cif-core.js +15 -5
- package/lib/commonjs/mol-io/reader/cif/schema/density-server.d.ts +3 -3
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif-extras.d.ts +3 -3
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif.d.ts +341 -16
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif.js +326 -1
- package/lib/commonjs/mol-io/reader/mol/parser.d.ts +23 -1
- package/lib/commonjs/mol-io/reader/mol/parser.js +116 -4
- package/lib/commonjs/mol-io/reader/mol2/parser.d.ts +1 -1
- package/lib/commonjs/mol-io/reader/mol2/parser.js +33 -3
- package/lib/commonjs/mol-io/reader/mol2/schema.d.ts +12 -1
- package/lib/commonjs/mol-io/reader/mol2/schema.js +1 -1
- package/lib/commonjs/mol-io/reader/ply/schema.d.ts +1 -1
- package/lib/commonjs/mol-io/reader/sdf/parser-v3-util.d.ts +15 -0
- package/lib/commonjs/mol-io/reader/sdf/parser-v3-util.js +100 -0
- package/lib/commonjs/mol-io/reader/sdf/parser.d.ts +4 -2
- package/lib/commonjs/mol-io/reader/sdf/parser.js +23 -6
- package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.js +2 -2
- package/lib/commonjs/mol-math/geometry/symmetry-operator.js +3 -2
- package/lib/commonjs/mol-math/linear-algebra/3d/quat.d.ts +9 -1
- package/lib/commonjs/mol-math/linear-algebra/3d/quat.js +20 -1
- package/lib/commonjs/mol-math/linear-algebra/3d/vec3.d.ts +6 -0
- package/lib/commonjs/mol-math/linear-algebra/3d/vec3.js +9 -0
- package/lib/commonjs/mol-model/loci.d.ts +30 -30
- package/lib/commonjs/mol-model/shape/shape.d.ts +1 -1
- package/lib/commonjs/mol-model/structure/model/model.d.ts +1 -0
- package/lib/commonjs/mol-model/structure/model/model.js +15 -5
- package/lib/commonjs/mol-model/structure/model/properties/atomic/hierarchy.d.ts +6 -1
- package/lib/commonjs/mol-model/structure/model/properties/atomic/hierarchy.js +1 -1
- package/lib/commonjs/mol-model/structure/model/properties/utils/atomic-derived.d.ts +1 -1
- package/lib/commonjs/mol-model/structure/model/properties/utils/atomic-derived.js +4 -1
- package/lib/commonjs/mol-model/structure/model/properties/utils/atomic-index.d.ts +1 -1
- package/lib/commonjs/mol-model/structure/model/properties/utils/atomic-index.js +12 -1
- package/lib/commonjs/mol-model/structure/model/types.js +9 -0
- package/lib/commonjs/mol-model/structure/query/utils/structure-distance.d.ts +54 -5
- package/lib/commonjs/mol-model/structure/structure/element/stats.js +8 -0
- package/lib/commonjs/mol-model/structure/structure/properties.d.ts +2 -2
- package/lib/commonjs/mol-model/structure/structure/properties.js +5 -5
- package/lib/commonjs/mol-model/structure/structure/symmetry.js +1 -3
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/common.d.ts +2 -1
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/common.js +11 -2
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.d.ts +1 -1
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.js +20 -10
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/intra-compute.d.ts +1 -1
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/intra-compute.js +21 -11
- package/lib/commonjs/mol-model/structure/structure/unit/rings.js +2 -0
- package/lib/commonjs/mol-model/structure/structure/unit.d.ts +2 -2
- package/lib/commonjs/mol-model-formats/shape/ply.d.ts +40 -6
- package/lib/commonjs/mol-model-formats/structure/basic/schema.d.ts +6 -6
- package/lib/commonjs/mol-model-formats/structure/common/component.d.ts +8 -8
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-
{"version":3,"file":"zip.js","sourceRoot":"","sources":["../../../../src/mol-util/zip/zip.ts"],"names":[],"mappings":";AAAA;;;;;;;;;GASG;;;;AAEH,6BAA6G;AAC7G,uCAAwC;AACxC,qCAAqC;AACrC,qCAAwC;AACxC,2CAAsD;AAEtD,SAAsB,KAAK,CAAC,OAAuB,EAAE,GAAgB,EAAE,SAAiB;IAAjB,0BAAA,EAAA,iBAAiB;;;;;;oBAC9E,GAAG,GAAkE,MAAM,CAAC,MAAM,CAAC,IAAI,CAAC,CAAC;oBACzF,IAAI,GAAG,IAAI,UAAU,CAAC,GAAG,CAAC,CAAC;oBAC7B,IAAI,GAAG,IAAI,CAAC,MAAM,GAAG,CAAC,CAAC;oBAE3B,OAAO,IAAA,cAAQ,EAAC,IAAI,EAAE,IAAI,CAAC,KAAK,UAAU;wBAAE,IAAI,EAAE,CAAC;oBAE/C,CAAC,GAAG,IAAI,CAAC;oBACb,CAAC,IAAI,CAAC,CAAC,CAAC,qBAAqB;oBAC7B,CAAC,IAAI,CAAC,CAAC,CAAC,aAAa;oBACf,GAAG,GAAG,IAAA,gBAAU,EAAC,IAAI,EAAE,CAAC,CAAC,CAAC;oBAChC,CAAC,IAAI,CAAC,CAAC;oBACP,mCAAmC;oBACnC,CAAC,IAAI,CAAC,CAAC;oBAEP,mCAAmC;oBACnC,CAAC,IAAI,CAAC,CAAC;oBACD,KAAK,GAAG,IAAA,cAAQ,EAAC,IAAI,EAAE,CAAC,CAAC,CAAC;oBAAC,CAAC,IAAI,CAAC,CAAC;oBAExC,CAAC,GAAG,KAAK,CAAC;oBACD,CAAC,GAAG,CAAC;;;yBAAE,CAAA,CAAC,GAAG,GAAG,CAAA;oBACnB,kCAAkC;oBAClC,CAAC,IAAI,CAAC,CAAC;oBACP,CAAC,IAAI,CAAC,CAAC,CAAC,YAAY;oBACpB,CAAC,IAAI,CAAC,CAAC,CAAC,eAAe;oBACvB,CAAC,IAAI,CAAC,CAAC,CAAC,OAAO;oBAEf,mCAAmC;oBACnC,CAAC,IAAI,CAAC,CAAC;oBACD,KAAK,GAAG,IAAA,cAAQ,EAAC,IAAI,EAAE,CAAC,CAAC,CAAC;oBAChC,CAAC,IAAI,CAAC,CAAC;oBACD,KAAK,GAAG,IAAA,cAAQ,EAAC,IAAI,EAAE,CAAC,CAAC,CAAC;oBAChC,CAAC,IAAI,CAAC,CAAC;oBAED,EAAE,GAAG,IAAA,gBAAU,EAAC,IAAI,EAAE,CAAC,CAAC,CAAC;oBACzB,EAAE,GAAG,IAAA,gBAAU,EAAC,IAAI,EAAE,CAAC,GAAG,CAAC,CAAC,CAAC;oBAC7B,EAAE,GAAG,IAAA,gBAAU,EAAC,IAAI,EAAE,CAAC,GAAG,CAAC,CAAC,CAAC;oBACnC,CAAC,IAAI,CAAC,CAAC,CAAC,uBAAuB;oBAC/B,CAAC,IAAI,CAAC,CAAC,CAAC,gBAAgB;oBAElB,IAAI,GAAG,IAAA,cAAQ,EAAC,IAAI,EAAE,CAAC,CAAC,CAAC;oBAAC,CAAC,IAAI,CAAC,CAAC;oBACvC,CAAC,IAAI,EAAE,GAAG,EAAE,GAAG,EAAE,CAAC;oBAElB,qBAAM,UAAU,CAAC,OAAO,EAAE,IAAI,EAAE,IAAI,EAAE,GAAG,EAAE,KAAK,EAAE,KAAK,EAAE,SAAS,CAAC,EAAA;;oBAAnE,SAAmE,CAAC;;;oBAvB/C,CAAC,EAAE,CAAA;;;gBAyB5B,oBAAoB;gBACpB,sBAAO,GAAG,EAAC;;;;CACd;AA/CD,sBA+CC;AAED,SAAe,UAAU,CAAC,OAAuB,EAAE,IAAgB,EAAE,CAAS,EAAE,GAAkE,EAAE,KAAa,EAAE,KAAa,EAAE,SAAkB;;;;;;oBAChM,mCAAmC;oBACnC,CAAC,IAAI,CAAC,CAAC;oBACP,qCAAqC;oBACrC,CAAC,IAAI,CAAC,CAAC;oBACP,qCAAqC;oBACrC,CAAC,IAAI,CAAC,CAAC;oBAED,IAAI,GAAG,IAAA,gBAAU,EAAC,IAAI,EAAE,CAAC,CAAC,CAAC;oBACjC,CAAC,IAAI,CAAC,CAAC;oBAEP,mCAAmC;oBACnC,CAAC,IAAI,CAAC,CAAC;oBAEP,mCAAmC;oBACnC,CAAC,IAAI,CAAC,CAAC;oBACP,mCAAmC;oBACnC,mCAAmC;oBACnC,CAAC,IAAI,CAAC,CAAC;oBAED,IAAI,GAAG,IAAA,gBAAU,EAAC,IAAI,EAAE,CAAC,CAAC,CAAC;oBACjC,CAAC,IAAI,CAAC,CAAC;oBACD,IAAI,GAAG,IAAA,gBAAU,EAAC,IAAI,EAAE,CAAC,CAAC,CAAC;oBACjC,CAAC,IAAI,CAAC,CAAC;oBAED,IAAI,GAAG,IAAA,cAAQ,EAAC,IAAI,EAAE,CAAC,EAAE,IAAI,CAAC,CAAC;oBACrC,CAAC,IAAI,IAAI,CAAC,CAAC,qBAAqB;oBAChC,CAAC,IAAI,IAAI,CAAC;oBAEV,IAAI,SAAS,EAAE;wBACX,GAAG,CAAC,IAAI,CAAC,GAAG,EAAE,IAAI,EAAE,KAAK,EAAE,KAAK,OAAA,EAAE,CAAC;wBACnC,sBAAO;qBACV;oBAEK,IAAI,GAAG,IAAI,UAAU,CAAC,IAAI,CAAC,MAAM,EAAE,CAAC,CAAC,CAAC;yBACxC,CAAA,IAAI,KAAK,CAAC,CAAA,EAAV,wBAAU;oBACV,GAAG,CAAC,IAAI,CAAC,GAAG,IAAI,UAAU,CAAC,IAAI,CAAC,MAAM,CAAC,KAAK,CAAC,CAAC,EAAE,CAAC,GAAG,KAAK,CAAC,CAAC,CAAC;;;yBACrD,CAAA,IAAI,KAAK,CAAC,CAAA,EAAV,wBAAU;oBACX,GAAG,GAAG,IAAI,UAAU,CAAC,KAAK,CAAC,CAAC;oBAClC,qBAAM,UAAU,CAAC,OAAO,EAAE,IAAI,EAAE,GAAG,CAAC,EAAA;;oBAApC,SAAoC,CAAC;oBACrC,GAAG,CAAC,IAAI,CAAC,GAAG,GAAG,CAAC;;wBAEhB,MAAM,IAAI,KAAK,CAAC,sCAA+B,IAAI,CAAE,CAAC,CAAC;;;;;CAE9D;AAED,SAAsB,UAAU,CAAC,OAAuB,EAAE,IAAgB,EAAE,GAAgB;;;YACxF,sBAAO,IAAA,kBAAQ,EAAC,OAAO,EAAE,IAAI,EAAE,GAAG,CAAC,EAAC;;;CACvC;AAFD,gCAEC;AAED,SAAgB,OAAO,CAAC,OAAuB,EAAE,IAAgB,EAAE,GAAgB;IAC/E,sBAAsB;IACtB,sBAAsB;IACtB,sBAAsB;IACtB,2BAA2B;IAC3B,kCAAkC;IAClC,OAAO,UAAU,CAAC,OAAO,EAAE,IAAI,UAAU,CAAC,IAAI,CAAC,MAAM,EAAE,IAAI,CAAC,UAAU,GAAG,CAAC,EAAE,IAAI,CAAC,MAAM,GAAG,CAAC,CAAC,EAAE,GAAG,CAAC,CAAC;AACvG,CAAC;AAPD,0BAOC;AAED,sCAAsC;AACtC,SAAsB,MAAM,CAAC,OAAuB,EAAE,IAAgB,EAAE,GAAgB;;;;;;oBAI9E,GAAG,GAAG,IAAI,CAAC,CAAC,CAAC,CAAC;oBAKhB,CAAC,GAAG,EAAE,CAAC;oBACX,IAAI,GAAG,GAAG,CAAC,EAAE,EAAE,SAAS;wBACd,IAAI,GAAG,IAAA,gBAAU,EAAC,IAAI,EAAE,CAAC,CAAC,CAAC;wBACjC,8BAA8B;wBAC9B,CAAC,IAAI,IAAI,CAAC;qBACb;oBACD,IAAI,GAAG,GAAG,CAAC,EAAE,EAAE,QAAQ;wBACf,IAAI,GAAG,CAAC,CAAC;wBACb,OAAO,IAAI,CAAC,IAAI,CAAC,KAAK,CAAC;4BAAE,EAAE,IAAI,CAAC;wBAChC,2CAA2C;wBAC3C,uCAAuC;wBACvC,CAAC,GAAG,IAAI,GAAG,CAAC,CAAC;qBAChB;oBACD,IAAI,GAAG,GAAG,EAAE,EAAE,EAAE,WAAW;wBACnB,IAAI,GAAG,CAAC,CAAC;wBACb,OAAO,IAAI,CAAC,IAAI,CAAC,KAAK,CAAC;4BAAE,EAAE,IAAI,CAAC;wBAChC,8CAA8C;wBAC9C,mCAAmC;wBACnC,CAAC,GAAG,IAAI,GAAG,CAAC,CAAC;qBAChB;oBAED,IAAI,GAAG,GAAG,CAAC,EAAE,EAAE,QAAQ;wBACnB,mCAAmC;wBACnC,6BAA6B;wBAC7B,CAAC,IAAI,CAAC,CAAC;qBACV;oBAEK,KAAK,GAAG,IAAA,aAAO,EAAC,IAAA,cAAQ,EAAC,IAAI,EAAE,IAAI,CAAC,MAAM,GAAG,CAAC,CAAC,CAAC,CAAC;oBACjD,KAAK,GAAG,IAAA,cAAQ,EAAC,IAAI,EAAE,IAAI,CAAC,MAAM,GAAG,CAAC,CAAC,CAAC;oBAC9C,IAAI,GAAG,KAAK,SAAS;wBAAE,GAAG,GAAG,IAAI,UAAU,CAAC,KAAK,CAAC,CAAC;oBAE7C,MAAM,GAAG,IAAI,UAAU,CAAC,IAAI,CAAC,MAAM,EAAE,IAAI,CAAC,UAAU,GAAG,CAAC,EAAE,IAAI,CAAC,MAAM,GAAG,CAAC,GAAG,CAAC,CAAC,CAAC;oBACpE,qBAAM,UAAU,CAAC,OAAO,EAAE,MAAM,EAAE,GAAG,CAAC,EAAA;;oBAAjD,QAAQ,GAAG,SAAsC;oBACjD,QAAQ,GAAG,IAAA,cAAG,EAAC,QAAQ,EAAE,CAAC,EAAE,QAAQ,CAAC,MAAM,CAAC,CAAC;oBACnD,IAAI,KAAK,KAA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declare function createData(n: number): number[];
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declare function binarySearchHelper(list: ArrayLike<number>, t: number): number;
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declare function objSearch(obj: any, val: number): boolean;
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declare function setSearch(set: Set<number>, val: number): boolean;
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declare type Mask = {
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declare function maskSearch({ min, max, mask }: Mask, val: number): boolean;
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declare function prepare(list: ArrayLike<number>): {
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declare function prepareSet(list: ArrayLike<number>): Set<number>;
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declare function prepareObj(list: ArrayLike<number>): any;
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declare function prepareMask(list: ArrayLike<number>): Mask;
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declare function testBinary(list: ArrayLike<number>, points: ArrayLike<number>): number;
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declare function testObj(obj: any, points: ArrayLike<number>): number;
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declare function testSet(set: Set<number>, points: ArrayLike<number>): number;
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declare function run(f: () => number, n: number): void;
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"use strict";
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function createData(n) {
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var data = []; // new Int32Array(n);
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var last = (15 * Math.random()) | 0;
|
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5
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for (var i = 0; i < n; i++) {
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data[i] = last;
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last += (15 * Math.random()) | 0;
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}
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return data;
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}
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function binarySearchHelper(list, t) {
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var min = 0, max = list.length - 1;
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while (min <= max) {
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return -1;
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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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else
|
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return mid;
|
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}
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return -1;
|
|
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-
}
|
|
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function objSearch(obj, val) {
|
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return typeof obj[val] !== 'undefined';
|
|
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|
-
}
|
|
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|
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function setSearch(set, val) {
|
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|
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return set.has(val);
|
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|
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}
|
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|
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function maskSearch(_a, val) {
|
|
39
|
-
var min = _a.min, max = _a.max, mask = _a.mask;
|
|
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|
-
return val >= min && val <= max && !!mask[val - min];
|
|
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|
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}
|
|
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|
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function prepare(list) {
|
|
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|
-
var obj = Object.create(null), set = new Set();
|
|
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for (var i = 0; i < list.length; i++) {
|
|
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|
-
var v = list[i];
|
|
46
|
-
obj[v] = i;
|
|
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|
-
set.add(v);
|
|
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|
-
}
|
|
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|
-
return { list: list, obj: obj, set: set };
|
|
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|
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}
|
|
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|
-
function prepareSet(list) {
|
|
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|
-
var set = new Set();
|
|
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|
-
for (var i = 0; i < list.length; i++) {
|
|
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|
-
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|
|
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|
-
set.add(v);
|
|
56
|
-
}
|
|
57
|
-
return set;
|
|
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|
-
}
|
|
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|
-
function prepareObj(list) {
|
|
60
|
-
var obj = Object.create(null);
|
|
61
|
-
for (var i = 0; i < list.length; i++) {
|
|
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|
-
var v = list[i];
|
|
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|
-
obj[v] = i;
|
|
64
|
-
}
|
|
65
|
-
return obj;
|
|
66
|
-
}
|
|
67
|
-
function prepareMask(list) {
|
|
68
|
-
var max = Number.NEGATIVE_INFINITY, min = Number.POSITIVE_INFINITY;
|
|
69
|
-
for (var i = 0; i < list.length; i++) {
|
|
70
|
-
var v = list[i];
|
|
71
|
-
if (max < v)
|
|
72
|
-
max = v;
|
|
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|
-
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|
|
74
|
-
min = v;
|
|
75
|
-
}
|
|
76
|
-
var mask = new Uint8Array(max - min + 1);
|
|
77
|
-
for (var i = 0; i < list.length; i++) {
|
|
78
|
-
var v = list[i];
|
|
79
|
-
mask[v - min] = 1;
|
|
80
|
-
}
|
|
81
|
-
return { min: min, max: max, mask: mask };
|
|
82
|
-
}
|
|
83
|
-
function testBinary(list, points) {
|
|
84
|
-
var r = 0;
|
|
85
|
-
for (var i = 0, _i = points.length; i < _i; i++) {
|
|
86
|
-
if (binarySearchHelper(list, points[i]) >= 0)
|
|
87
|
-
r += points[i];
|
|
88
|
-
}
|
|
89
|
-
return r;
|
|
90
|
-
}
|
|
91
|
-
function testObj(obj, points) {
|
|
92
|
-
var r = 0;
|
|
93
|
-
for (var i = 0, _i = points.length; i < _i; i++) {
|
|
94
|
-
if (objSearch(obj, points[i]))
|
|
95
|
-
r += points[i];
|
|
96
|
-
}
|
|
97
|
-
return r;
|
|
98
|
-
}
|
|
99
|
-
function testSet(set, points) {
|
|
100
|
-
var r = 0;
|
|
101
|
-
for (var i = 0, _i = points.length; i < _i; i++) {
|
|
102
|
-
if (setSearch(set, points[i]))
|
|
103
|
-
r += points[i];
|
|
104
|
-
}
|
|
105
|
-
return r;
|
|
106
|
-
}
|
|
107
|
-
function testMask(mask, points) {
|
|
108
|
-
var r = 0;
|
|
109
|
-
for (var i = 0, _i = points.length; i < _i; i++) {
|
|
110
|
-
if (maskSearch(mask, points[i]))
|
|
111
|
-
r += points[i];
|
|
112
|
-
}
|
|
113
|
-
return r;
|
|
114
|
-
}
|
|
115
|
-
function run(f, n) {
|
|
116
|
-
for (var i = 0; i < n; i++)
|
|
117
|
-
f();
|
|
118
|
-
}
|
|
119
|
-
(function () {
|
|
120
|
-
var size = 10000;
|
|
121
|
-
var list = createData(size);
|
|
122
|
-
var queryPoints = createData(size);
|
|
123
|
-
var obj = prepareObj(list);
|
|
124
|
-
var set = prepareSet(list);
|
|
125
|
-
var mask = prepareMask(list);
|
|
126
|
-
console.log('list', testBinary(list, queryPoints));
|
|
127
|
-
console.log('obj', testObj(obj, queryPoints));
|
|
128
|
-
console.log('set', testSet(set, queryPoints));
|
|
129
|
-
console.log('mask', testMask(mask, queryPoints));
|
|
130
|
-
console.log('----------------------');
|
|
131
|
-
console.time('obj');
|
|
132
|
-
run(function () { return testObj(obj, queryPoints); }, 100);
|
|
133
|
-
console.timeEnd('obj');
|
|
134
|
-
console.time('set');
|
|
135
|
-
run(function () { return testSet(set, queryPoints); }, 100);
|
|
136
|
-
console.timeEnd('set');
|
|
137
|
-
console.time('bin-search');
|
|
138
|
-
run(function () { return testBinary(list, queryPoints); }, 100);
|
|
139
|
-
console.timeEnd('bin-search');
|
|
140
|
-
console.time('mask-search');
|
|
141
|
-
run(function () { return testMask(mask, queryPoints); }, 100);
|
|
142
|
-
console.timeEnd('mask-search');
|
|
143
|
-
console.log('----------------------');
|
|
144
|
-
console.time('prepare-obj');
|
|
145
|
-
run(function () { return prepareObj(list); }, 1);
|
|
146
|
-
console.timeEnd('prepare-obj');
|
|
147
|
-
console.time('prepare-set');
|
|
148
|
-
run(function () { return prepareSet(list).size; }, 1);
|
|
149
|
-
console.timeEnd('prepare-set');
|
|
150
|
-
console.time('prepare-mask');
|
|
151
|
-
run(function () { return prepareMask(list).min; }, 1);
|
|
152
|
-
console.timeEnd('prepare-mask');
|
|
153
|
-
}());
|
|
154
|
-
//# sourceMappingURL=binary-search.js.map
|
|
@@ -1 +0,0 @@
|
|
|
1
|
-
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|
|
@@ -1 +0,0 @@
|
|
|
1
|
-
export {};
|
|
@@ -1,43 +0,0 @@
|
|
|
1
|
-
"use strict";
|
|
2
|
-
Object.defineProperty(exports, "__esModule", { value: true });
|
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3
|
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var tslib_1 = require("tslib");
|
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var B = (0, tslib_1.__importStar)(require("benchmark"));
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|
-
var util_1 = require("../mol-data/util");
|
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6
|
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function testNative(size) {
|
|
7
|
-
var xs = new Array(size);
|
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8
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-
for (var i = 0; i < size; i++)
|
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xs[i] = i * i;
|
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10
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-
return xs;
|
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11
|
-
}
|
|
12
|
-
function testChunkedTyped(size, chunk) {
|
|
13
|
-
var xs = util_1.ChunkedArray.create(Int32Array, 1, chunk);
|
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14
|
-
for (var i = 0; i < size; i++)
|
|
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|
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util_1.ChunkedArray.add(xs, i * i);
|
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|
-
return util_1.ChunkedArray.compact(xs);
|
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}
|
|
18
|
-
function testChunkedNative(size, chunk) {
|
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var xs = util_1.ChunkedArray.create(Array, 1, chunk);
|
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for (var i = 0; i < size; i++)
|
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util_1.ChunkedArray.add(xs, i * i);
|
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return util_1.ChunkedArray.compact(xs);
|
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}
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var suite = new B.Suite();
|
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var N = 70000;
|
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-
suite
|
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-
.add('native', function () { return testNative(N); })
|
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// .add('chunkedT 0.1k', () => testChunkedTyped(N, 100, false))
|
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// .add('chunkedT 4k', () => testChunkedTyped(N, 4096, false))
|
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-
.add('chunkedT 4k lin', function () { return testChunkedTyped(N, 4096); })
|
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// .add('chunkedT N / 2', () => testChunkedTyped(N, N / 2, false))
|
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// .add('chunkedT N', () => testChunkedTyped(N, N, false))
|
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// .add('chunkedT 2 * N', () => testChunkedTyped(N, 2 * N, false))
|
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.add('chunkedN N', function () { return testChunkedNative(N, N); })
|
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.add('chunkedN 0.1k', function () { return testChunkedNative(N, 100); })
|
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|
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.add('chunkedN N / 2', function () { return testChunkedNative(N, N / 2); })
|
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|
-
.add('chunkedN 2 * N', function () { return testChunkedNative(N, 2 * N); })
|
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.on('cycle', function (e) {
|
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-
console.log(String(e.target));
|
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|
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})
|
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.run();
|
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|
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// console.log(testChunkedTyped(10, 16));
|
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//# sourceMappingURL=chunked-array-vs-native.js.map
|
|
@@ -1 +0,0 @@
|
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|
-
{"version":3,"file":"chunked-array-vs-native.js","sourceRoot":"","sources":["../../../src/perf-tests/chunked-array-vs-native.ts"],"names":[],"mappings":";;;AAAA,wDAA+B;AAC/B,yCAAgD;AAEhD,SAAS,UAAU,CAAC,IAAY;IAC5B,IAAM,EAAE,GAAG,IAAI,KAAK,CAAC,IAAI,CAAC,CAAC;IAC3B,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,IAAI,EAAE,CAAC,EAAE;QAAE,EAAE,CAAC,CAAC,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC;IAC7C,OAAO,EAAE,CAAC;AACd,CAAC;AAED,SAAS,gBAAgB,CAAC,IAAY,EAAE,KAAa;IACjD,IAAM,EAAE,GAAG,mBAAY,CAAC,MAAM,CAAC,UAAU,EAAE,CAAC,EAAE,KAAK,CAAC,CAAC;IACrD,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,IAAI,EAAE,CAAC,EAAE;QAAE,mBAAY,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC,GAAG,CAAC,CAAC,CAAC;IAC3D,OAAO,mBAAY,CAAC,OAAO,CAAC,EAAE,CAAC,CAAC;AACpC,CAAC;AAED,SAAS,iBAAiB,CAAC,IAAY,EAAE,KAAa;IAClD,IAAM,EAAE,GAAG,mBAAY,CAAC,MAAM,CAAC,KAAK,EAAE,CAAC,EAAE,KAAK,CAAC,CAAC;IAChD,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,IAAI,EAAE,CAAC,EAAE;QAAE,mBAAY,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC,GAAG,CAAC,CAAC,CAAC;IAC3D,OAAO,mBAAY,CAAC,OAAO,CAAC,EAAE,CAAC,CAAC;AACpC,CAAC;AAED,IAAM,KAAK,GAAG,IAAI,CAAC,CAAC,KAAK,EAAE,CAAC;AAE5B,IAAM,CAAC,GAAG,KAAK,CAAC;AAEhB,KAAK;KACA,GAAG,CAAC,QAAQ,EAAE,cAAM,OAAA,UAAU,CAAC,CAAC,CAAC,EAAb,CAAa,CAAC;IACnC,+DAA+D;IAC/D,8DAA8D;KAC7D,GAAG,CAAC,iBAAiB,EAAE,cAAM,OAAA,gBAAgB,CAAC,CAAC,EAAE,IAAI,CAAC,EAAzB,CAAyB,CAAC;IACxD,kEAAkE;IAClE,0DAA0D;IAC1D,kEAAkE;KAEjE,GAAG,CAAC,YAAY,EAAE,cAAM,OAAA,iBAAiB,CAAC,CAAC,EAAE,CAAC,CAAC,EAAvB,CAAuB,CAAC;KAChD,GAAG,CAAC,eAAe,EAAE,cAAM,OAAA,iBAAiB,CAAC,CAAC,EAAE,GAAG,CAAC,EAAzB,CAAyB,CAAC;KACrD,GAAG,CAAC,gBAAgB,EAAE,cAAM,OAAA,iBAAiB,CAAC,CAAC,EAAE,CAAC,GAAG,CAAC,CAAC,EAA3B,CAA2B,CAAC;KACxD,GAAG,CAAC,gBAAgB,EAAE,cAAM,OAAA,iBAAiB,CAAC,CAAC,EAAE,CAAC,GAAG,CAAC,CAAC,EAA3B,CAA2B,CAAC;KACxD,EAAE,CAAC,OAAO,EAAE,UAAC,CAAM;IAChB,OAAO,CAAC,GAAG,CAAC,MAAM,CAAC,CAAC,CAAC,MAAM,CAAC,CAAC,CAAC;AAClC,CAAC,CAAC;KACD,GAAG,EAAE,CAAC;AAEX,yCAAyC"}
|
|
@@ -1,58 +0,0 @@
|
|
|
1
|
-
"use strict";
|
|
2
|
-
/**
|
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3
|
-
* Copyright (c) 2017 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
4
|
-
*
|
|
5
|
-
* @author David Sehnal <david.sehnal@gmail.com>
|
|
6
|
-
*/
|
|
7
|
-
Object.defineProperty(exports, "__esModule", { value: true });
|
|
8
|
-
var tslib_1 = require("tslib");
|
|
9
|
-
var cif_1 = require("../mol-io/writer/cif");
|
|
10
|
-
var fs = (0, tslib_1.__importStar)(require("fs"));
|
|
11
|
-
var category1fields = [
|
|
12
|
-
cif_1.CifWriter.Field.str('f1', function (i) { return 'v' + i; }),
|
|
13
|
-
cif_1.CifWriter.Field.int('f2', function (i) { return i * i; }),
|
|
14
|
-
cif_1.CifWriter.Field.float('f3', function (i) { return Math.random(); }),
|
|
15
|
-
];
|
|
16
|
-
var category2fields = [
|
|
17
|
-
cif_1.CifWriter.Field.str('e1', function (i) { return 'v\n' + i; }),
|
|
18
|
-
cif_1.CifWriter.Field.int('e2', function (i) { return i * i; }),
|
|
19
|
-
cif_1.CifWriter.Field.float('e3', function (i) { return Math.random(); }),
|
|
20
|
-
];
|
|
21
|
-
function getCat(name) {
|
|
22
|
-
return {
|
|
23
|
-
name: name,
|
|
24
|
-
instance: function (ctx) {
|
|
25
|
-
return { fields: ctx.fields, source: [{ rowCount: ctx.rowCount }] };
|
|
26
|
-
}
|
|
27
|
-
};
|
|
28
|
-
}
|
|
29
|
-
function testText() {
|
|
30
|
-
var enc = cif_1.CifWriter.createEncoder();
|
|
31
|
-
var filter = {
|
|
32
|
-
includeCategory: function (cat) { return true; },
|
|
33
|
-
includeField: function (cat, field) { return !(cat === 'cat2' && field === 'e2'); }
|
|
34
|
-
};
|
|
35
|
-
enc.startDataBlock('test');
|
|
36
|
-
enc.setFilter(filter);
|
|
37
|
-
enc.writeCategory(getCat('cat1'), [{ rowCount: 5, fields: category1fields }]);
|
|
38
|
-
enc.writeCategory(getCat('cat2'), [{ rowCount: 1, fields: category2fields }]);
|
|
39
|
-
console.log(enc.getData());
|
|
40
|
-
}
|
|
41
|
-
testText();
|
|
42
|
-
function testBinary() {
|
|
43
|
-
var enc = cif_1.CifWriter.createEncoder({ binary: true });
|
|
44
|
-
var filter = {
|
|
45
|
-
includeCategory: function (cat) { return true; },
|
|
46
|
-
includeField: function (cat, field) { return !(cat === 'cat2' && field === 'e2'); }
|
|
47
|
-
};
|
|
48
|
-
enc.startDataBlock('test');
|
|
49
|
-
enc.setFilter(filter);
|
|
50
|
-
enc.writeCategory(getCat('cat1'), [{ rowCount: 5, fields: category1fields }]);
|
|
51
|
-
enc.writeCategory(getCat('cat2'), [{ rowCount: 1, fields: category2fields }]);
|
|
52
|
-
enc.encode();
|
|
53
|
-
var data = enc.getData();
|
|
54
|
-
fs.writeFileSync('e:/test/mol-star/test.bcif', Buffer.from(data));
|
|
55
|
-
console.log('written binary');
|
|
56
|
-
}
|
|
57
|
-
testBinary();
|
|
58
|
-
//# sourceMappingURL=cif-encoder.js.map
|
|
@@ -1 +0,0 @@
|
|
|
1
|
-
{"version":3,"file":"cif-encoder.js","sourceRoot":"","sources":["../../../src/perf-tests/cif-encoder.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;AAEH,4CAAiD;AACjD,kDAAyB;AAEzB,IAAM,eAAe,GAAsB;IACvC,eAAS,CAAC,KAAK,CAAC,GAAG,CAAC,IAAI,EAAE,UAAA,CAAC,IAAI,OAAA,GAAG,GAAG,CAAC,EAAP,CAAO,CAAC;IACvC,eAAS,CAAC,KAAK,CAAC,GAAG,CAAC,IAAI,EAAE,UAAA,CAAC,IAAI,OAAA,CAAC,GAAG,CAAC,EAAL,CAAK,CAAC;IACrC,eAAS,CAAC,KAAK,CAAC,KAAK,CAAC,IAAI,EAAE,UAAA,CAAC,IAAI,OAAA,IAAI,CAAC,MAAM,EAAE,EAAb,CAAa,CAAC;CAClD,CAAC;AAEF,IAAM,eAAe,GAAsB;IACvC,eAAS,CAAC,KAAK,CAAC,GAAG,CAAC,IAAI,EAAE,UAAA,CAAC,IAAI,OAAA,KAAK,GAAG,CAAC,EAAT,CAAS,CAAC;IACzC,eAAS,CAAC,KAAK,CAAC,GAAG,CAAC,IAAI,EAAE,UAAA,CAAC,IAAI,OAAA,CAAC,GAAG,CAAC,EAAL,CAAK,CAAC;IACrC,eAAS,CAAC,KAAK,CAAC,KAAK,CAAC,IAAI,EAAE,UAAA,CAAC,IAAI,OAAA,IAAI,CAAC,MAAM,EAAE,EAAb,CAAa,CAAC;CAClD,CAAC;AAEF,SAAS,MAAM,CAAC,IAAY;IACxB,OAAO;QACH,IAAI,MAAA;QACJ,QAAQ,EAAR,UAAS,GAAoD;YACzD,OAAO,EAAE,MAAM,EAAE,GAAG,CAAC,MAAM,EAAE,MAAM,EAAE,CAAC,EAAE,QAAQ,EAAE,GAAG,CAAC,QAAQ,EAAE,CAAC,EAAE,CAAC;QACxE,CAAC;KACJ,CAAC;AACN,CAAC;AAED,SAAS,QAAQ;IACb,IAAM,GAAG,GAAG,eAAS,CAAC,aAAa,EAAE,CAAC;IAEtC,IAAM,MAAM,GAA8B;QACtC,eAAe,YAAC,GAAG,IAAI,OAAO,IAAI,CAAC,CAAC,CAAC;QACrC,YAAY,YAAC,GAAG,EAAE,KAAK,IAAI,OAAO,CAAC,CAAC,GAAG,KAAK,MAAM,IAAI,KAAK,KAAK,IAAI,CAAC,CAAC,CAAC,CAAC;KAC3E,CAAC;IAEF,GAAG,CAAC,cAAc,CAAC,MAAM,CAAC,CAAC;IAC3B,GAAG,CAAC,SAAS,CAAC,MAAM,CAAC,CAAC;IACtB,GAAG,CAAC,aAAa,CAAC,MAAM,CAAC,MAAM,CAAC,EAAE,CAAC,EAAE,QAAQ,EAAE,CAAC,EAAE,MAAM,EAAE,eAAe,EAAE,CAAC,CAAC,CAAC;IAC9E,GAAG,CAAC,aAAa,CAAC,MAAM,CAAC,MAAM,CAAC,EAAE,CAAC,EAAE,QAAQ,EAAE,CAAC,EAAE,MAAM,EAAE,eAAe,EAAE,CAAC,CAAC,CAAC;IAC9E,OAAO,CAAC,GAAG,CAAC,GAAG,CAAC,OAAO,EAAE,CAAC,CAAC;AAC/B,CAAC;AAED,QAAQ,EAAE,CAAC;AAGX,SAAS,UAAU;IACf,IAAM,GAAG,GAAG,eAAS,CAAC,aAAa,CAAC,EAAE,MAAM,EAAE,IAAI,EAAE,CAAC,CAAC;IAEtD,IAAM,MAAM,GAA8B;QACtC,eAAe,YAAC,GAAG,IAAI,OAAO,IAAI,CAAC,CAAC,CAAC;QACrC,YAAY,YAAC,GAAG,EAAE,KAAK,IAAI,OAAO,CAAC,CAAC,GAAG,KAAK,MAAM,IAAI,KAAK,KAAK,IAAI,CAAC,CAAC,CAAC,CAAC;KAC3E,CAAC;IAEF,GAAG,CAAC,cAAc,CAAC,MAAM,CAAC,CAAC;IAC3B,GAAG,CAAC,SAAS,CAAC,MAAM,CAAC,CAAC;IACtB,GAAG,CAAC,aAAa,CAAC,MAAM,CAAC,MAAM,CAAC,EAAE,CAAC,EAAE,QAAQ,EAAE,CAAC,EAAE,MAAM,EAAE,eAAe,EAAE,CAAC,CAAC,CAAC;IAC9E,GAAG,CAAC,aAAa,CAAC,MAAM,CAAC,MAAM,CAAC,EAAE,CAAC,EAAE,QAAQ,EAAE,CAAC,EAAE,MAAM,EAAE,eAAe,EAAE,CAAC,CAAC,CAAC;IAC9E,GAAG,CAAC,MAAM,EAAE,CAAC;IACb,IAAM,IAAI,GAAG,GAAG,CAAC,OAAO,EAAgB,CAAC;IACzC,EAAE,CAAC,aAAa,CAAC,4BAA4B,EAAE,MAAM,CAAC,IAAI,CAAC,IAAI,CAAC,CAAC,CAAC;IAClE,OAAO,CAAC,GAAG,CAAC,gBAAgB,CAAC,CAAC;AAClC,CAAC;AAED,UAAU,EAAE,CAAC"}
|
|
@@ -1,78 +0,0 @@
|
|
|
1
|
-
"use strict";
|
|
2
|
-
Object.defineProperty(exports, "__esModule", { value: true });
|
|
3
|
-
exports.Column = void 0;
|
|
4
|
-
var tslib_1 = require("tslib");
|
|
5
|
-
var B = (0, tslib_1.__importStar)(require("benchmark"));
|
|
6
|
-
var db_1 = require("../mol-data/db");
|
|
7
|
-
var Column;
|
|
8
|
-
(function (Column) {
|
|
9
|
-
function createData(n) {
|
|
10
|
-
var ret = new Float32Array(n);
|
|
11
|
-
for (var i = 0; i < n; i++) {
|
|
12
|
-
ret[i] = i * i + 1;
|
|
13
|
-
}
|
|
14
|
-
return ret;
|
|
15
|
-
}
|
|
16
|
-
function raw(xs) {
|
|
17
|
-
var sum = 0;
|
|
18
|
-
for (var i = 0, _i = xs.length; i < _i; i++) {
|
|
19
|
-
sum += xs[i];
|
|
20
|
-
}
|
|
21
|
-
return sum;
|
|
22
|
-
}
|
|
23
|
-
function column(col) {
|
|
24
|
-
var sum = 0;
|
|
25
|
-
for (var i = 0, _i = col.rowCount; i < _i; i++) {
|
|
26
|
-
sum += col.value(i);
|
|
27
|
-
}
|
|
28
|
-
return sum;
|
|
29
|
-
}
|
|
30
|
-
function column1(col) {
|
|
31
|
-
var sum = 0;
|
|
32
|
-
for (var i = 0, _i = col.rowCount; i < _i; i++) {
|
|
33
|
-
sum += col.value(i);
|
|
34
|
-
}
|
|
35
|
-
return sum;
|
|
36
|
-
}
|
|
37
|
-
function val(i) { return i * i + 1; }
|
|
38
|
-
function runMono() {
|
|
39
|
-
var suite = new B.Suite();
|
|
40
|
-
var data = createData(1000);
|
|
41
|
-
var nativeData = (0, tslib_1.__spreadArray)([], data, true);
|
|
42
|
-
var col = db_1.Column.ofArray({ array: data, schema: db_1.Column.Schema.float });
|
|
43
|
-
var lambda = db_1.Column.ofLambda({ value: val, rowCount: data.length, schema: db_1.Column.Schema.float });
|
|
44
|
-
var cnst = db_1.Column.ofConst(10, data.length, db_1.Column.Schema.float);
|
|
45
|
-
suite
|
|
46
|
-
.add('raw', function () { return raw(data); })
|
|
47
|
-
.add('native raw', function () { return raw(nativeData); })
|
|
48
|
-
.add('arraycol', function () { return column(col); })
|
|
49
|
-
.add('arraycol1', function () { return column(col); })
|
|
50
|
-
.add('const', function () { return column1(cnst); })
|
|
51
|
-
.add('arraycol2', function () { return column(col); })
|
|
52
|
-
.add('lambda', function () { return column1(lambda); })
|
|
53
|
-
.on('cycle', function (e) { return console.log(String(e.target)); })
|
|
54
|
-
.run();
|
|
55
|
-
}
|
|
56
|
-
Column.runMono = runMono;
|
|
57
|
-
function runPoly() {
|
|
58
|
-
var suite = new B.Suite();
|
|
59
|
-
var data = createData(10000);
|
|
60
|
-
var nativeData = (0, tslib_1.__spreadArray)([], data, true);
|
|
61
|
-
var col = db_1.Column.ofArray({ array: data, schema: db_1.Column.Schema.float });
|
|
62
|
-
var lambda = db_1.Column.ofLambda({ value: val, rowCount: data.length, schema: db_1.Column.Schema.float });
|
|
63
|
-
var cnst = db_1.Column.ofConst(10, data.length, db_1.Column.Schema.float);
|
|
64
|
-
suite
|
|
65
|
-
.add('raw', function () { return raw(data); })
|
|
66
|
-
.add('native raw', function () { return raw(nativeData); })
|
|
67
|
-
.add('arraycol', function () { return column(col); })
|
|
68
|
-
.add('const', function () { return column(cnst); })
|
|
69
|
-
.add('arraycol2', function () { return column(col); })
|
|
70
|
-
.add('lambda', function () { return column(lambda); })
|
|
71
|
-
.on('cycle', function (e) { return console.log(String(e.target)); })
|
|
72
|
-
.run();
|
|
73
|
-
}
|
|
74
|
-
Column.runPoly = runPoly;
|
|
75
|
-
})(Column = exports.Column || (exports.Column = {}));
|
|
76
|
-
Column.runMono();
|
|
77
|
-
Column.runPoly();
|
|
78
|
-
//# sourceMappingURL=column.js.map
|
|
@@ -1 +0,0 @@
|
|
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1
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-
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@@ -1,13 +0,0 @@
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1
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export declare namespace Iterators {
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function forLoop(): number;
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function forOf(): number;
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function forEach(): number;
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function forEachAllParams(): number;
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function forEachClosure(): number;
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function forEachClosureAll(): number;
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function forEachClosureAllFunction(): number;
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function mutableES6Iterator(): number;
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function immutableES6Iterator(): number;
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function mutableIterator(): number;
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function run(): void;
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}
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