molstar 3.8.2 → 3.10.0
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 +202 -202
- package/build/viewer/embedded.html +43 -43
- package/build/viewer/index.html +109 -106
- package/build/viewer/molstar.js +1 -1
- package/lib/apps/docking-viewer/index.html +36 -36
- package/lib/apps/viewer/app.d.ts +5 -2
- package/lib/apps/viewer/app.js +11 -7
- package/lib/apps/viewer/embedded.html +43 -43
- package/lib/apps/viewer/index.html +109 -106
- package/lib/cli/cif2bcif/converter.js +1 -1
- package/lib/commonjs/apps/viewer/app.d.ts +5 -2
- package/lib/commonjs/apps/viewer/app.js +12 -7
- package/lib/commonjs/cli/cif2bcif/converter.js +1 -1
- package/lib/commonjs/examples/alpha-orbitals/index.d.ts +1 -1
- package/lib/commonjs/examples/alpha-orbitals/index.js +4 -1
- package/lib/commonjs/examples/basic-wrapper/custom-theme.js +1 -1
- package/lib/commonjs/examples/proteopedia-wrapper/coloring.js +3 -3
- package/lib/commonjs/extensions/alpha-orbitals/density.d.ts +1 -1
- package/lib/commonjs/extensions/alpha-orbitals/density.js +6 -2
- package/lib/commonjs/extensions/alpha-orbitals/orbitals.d.ts +1 -1
- package/lib/commonjs/extensions/alpha-orbitals/orbitals.js +6 -3
- package/lib/commonjs/extensions/anvil/algorithm.js +1 -1
- package/lib/commonjs/extensions/cellpack/color/generate.js +1 -1
- package/lib/commonjs/extensions/cellpack/color/provided.js +1 -1
- package/lib/commonjs/extensions/cellpack/state.js +1 -1
- package/lib/commonjs/extensions/dnatco/confal-pyramids/color.js +1 -1
- package/lib/commonjs/extensions/g3d/model.js +1 -1
- package/lib/commonjs/extensions/geo-export/ui.js +1 -0
- package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.js +1 -1
- package/lib/commonjs/extensions/model-archive/quality-assessment/color/qmean.js +1 -1
- package/lib/commonjs/extensions/mp4-export/ui.js +1 -0
- package/lib/commonjs/extensions/pdbe/structure-quality-report/color.js +1 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js +4 -4
- package/lib/commonjs/extensions/rcsb/validation-report/color/density-fit.js +1 -1
- package/lib/commonjs/extensions/rcsb/validation-report/color/geometry-quality.js +2 -2
- package/lib/commonjs/extensions/rcsb/validation-report/color/random-coil-index.js +1 -1
- package/lib/commonjs/extensions/rcsb/validation-report/representation.js +2 -2
- package/lib/commonjs/mol-canvas3d/canvas3d.js +4 -0
- package/lib/commonjs/mol-canvas3d/controls/trackball.js +7 -7
- package/lib/commonjs/mol-canvas3d/helper/camera-helper.js +14 -14
- package/lib/commonjs/mol-canvas3d/helper/interaction-events.js +5 -5
- package/lib/commonjs/mol-canvas3d/passes/draw.js +34 -5
- package/lib/commonjs/mol-canvas3d/passes/fxaa.js +5 -0
- package/lib/commonjs/mol-canvas3d/passes/marking.js +5 -0
- package/lib/commonjs/mol-canvas3d/passes/multi-sample.js +9 -0
- package/lib/commonjs/mol-canvas3d/passes/pick.d.ts +18 -5
- package/lib/commonjs/mol-canvas3d/passes/pick.js +125 -24
- package/lib/commonjs/mol-canvas3d/passes/postprocessing.js +5 -0
- package/lib/commonjs/mol-canvas3d/passes/smaa.js +4 -0
- package/lib/commonjs/mol-canvas3d/passes/wboit.js +4 -0
- package/lib/commonjs/mol-data/db/column.js +5 -5
- package/lib/commonjs/mol-data/db/table.js +2 -2
- package/lib/commonjs/mol-data/util/array.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +0 -1
- package/lib/commonjs/mol-geo/geometry/points/points.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js +13 -0
- package/lib/commonjs/mol-gl/compute/grid3d.d.ts +2 -2
- package/lib/commonjs/mol-gl/compute/grid3d.js +30 -8
- package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.d.ts +1 -1
- package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js +6 -1
- package/lib/commonjs/mol-gl/compute/histogram-pyramid/sum.d.ts +1 -1
- package/lib/commonjs/mol-gl/compute/histogram-pyramid/sum.js +6 -1
- package/lib/commonjs/mol-gl/compute/marching-cubes/active-voxels.d.ts +1 -1
- package/lib/commonjs/mol-gl/compute/marching-cubes/active-voxels.js +6 -1
- package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.d.ts +1 -1
- package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.js +10 -10
- package/lib/commonjs/mol-gl/renderer.js +77 -32
- package/lib/commonjs/mol-gl/scene.js +2 -0
- 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-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/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/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/image.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/image.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/lines.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/lines.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/points.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/points.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/text.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/text.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader-code.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader-code.js +41 -9
- package/lib/commonjs/mol-gl/webgl/compat.d.ts +34 -1
- package/lib/commonjs/mol-gl/webgl/compat.js +50 -2
- package/lib/commonjs/mol-gl/webgl/context.d.ts +2 -0
- package/lib/commonjs/mol-gl/webgl/context.js +3 -0
- package/lib/commonjs/mol-gl/webgl/extensions.d.ts +3 -2
- package/lib/commonjs/mol-gl/webgl/extensions.js +6 -1
- package/lib/commonjs/mol-gl/webgl/timer.d.ts +22 -0
- package/lib/commonjs/mol-gl/webgl/timer.js +169 -0
- package/lib/commonjs/mol-io/common/binary-cif/array-encoder.js +18 -18
- package/lib/commonjs/mol-io/common/binary-cif/decoder.js +16 -16
- package/lib/commonjs/mol-io/common/binary-cif/encoding.js +9 -9
- package/lib/commonjs/mol-io/reader/cif/binary/field.js +3 -3
- package/lib/commonjs/mol-io/reader/cif/data-model.js +14 -14
- package/lib/commonjs/mol-io/reader/cif/schema.js +1 -1
- package/lib/commonjs/mol-io/reader/cif/text/parser.js +23 -23
- package/lib/commonjs/mol-io/reader/common/text/column/fixed.js +1 -1
- package/lib/commonjs/mol-io/reader/common/text/column/token.js +1 -1
- package/lib/commonjs/mol-io/reader/common/text/number-parser.js +6 -6
- package/lib/commonjs/mol-io/reader/csv/parser.js +8 -8
- package/lib/commonjs/mol-io/writer/cif/encoder/binary.js +10 -10
- package/lib/commonjs/mol-io/writer/cif/encoder/text.js +7 -7
- package/lib/commonjs/mol-io/writer/cif/encoder.js +8 -8
- package/lib/commonjs/mol-io/writer/mol2/encoder.js +4 -4
- package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.js +13 -2
- package/lib/commonjs/mol-model/sequence/alignment/sequence.js +3 -3
- package/lib/commonjs/mol-model/sequence/sequence.js +9 -9
- package/lib/commonjs/mol-model/structure/export/categories/atom_site_operator_mapping.js +3 -3
- package/lib/commonjs/mol-model/structure/export/categories/secondary-structure.js +2 -2
- package/lib/commonjs/mol-model/structure/export/categories/utils.js +1 -1
- package/lib/commonjs/mol-model/structure/model/model.js +2 -2
- package/lib/commonjs/mol-model/structure/model/properties/custom/indexed.js +6 -6
- package/lib/commonjs/mol-model/structure/model/properties/utils/atomic-ranges.js +1 -1
- package/lib/commonjs/mol-model/structure/model/types.js +116 -116
- package/lib/commonjs/mol-model/structure/query/context.js +1 -1
- package/lib/commonjs/mol-model/structure/query/queries/generators.js +5 -5
- package/lib/commonjs/mol-model/structure/query/queries/internal.js +4 -4
- package/lib/commonjs/mol-model/structure/query/queries/modifiers.js +4 -4
- package/lib/commonjs/mol-model/structure/query/utils/structure-distance.d.ts +5 -54
- package/lib/commonjs/mol-model/structure/query/utils/structure-distance.js +9 -9
- package/lib/commonjs/mol-model/structure/structure/carbohydrates/constants.d.ts +3 -1
- package/lib/commonjs/mol-model/structure/structure/carbohydrates/constants.js +192 -108
- package/lib/commonjs/mol-model/structure/structure/element/loci.js +5 -5
- package/lib/commonjs/mol-model/structure/structure/element/stats.js +5 -5
- package/lib/commonjs/mol-model/structure/structure/properties.js +5 -5
- package/lib/commonjs/mol-model/structure/structure/structure.js +11 -11
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.js +5 -5
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/intra-compute.js +4 -4
- package/lib/commonjs/mol-model/structure/structure/unit/bonds.js +2 -2
- package/lib/commonjs/mol-model/structure/structure/unit/resonance.js +1 -1
- package/lib/commonjs/mol-model/structure/structure/unit/rings/compute.js +6 -6
- package/lib/commonjs/mol-model/structure/structure/unit/rings.js +6 -6
- package/lib/commonjs/mol-model/structure/structure/unit.js +16 -16
- package/lib/commonjs/mol-model/structure/structure/util/superposition-sifts-mapping.js +1 -1
- package/lib/commonjs/mol-model/structure/util.js +4 -4
- package/lib/commonjs/mol-model-formats/structure/basic/atomic.js +2 -2
- package/lib/commonjs/mol-model-formats/structure/basic/parser.js +4 -4
- package/lib/commonjs/mol-model-formats/structure/basic/properties.js +1 -1
- package/lib/commonjs/mol-model-formats/structure/basic/sort.js +1 -1
- package/lib/commonjs/mol-model-formats/structure/basic/util.js +1 -1
- package/lib/commonjs/mol-model-formats/structure/cif-core.js +6 -6
- package/lib/commonjs/mol-model-formats/structure/common/entity.js +1 -1
- package/lib/commonjs/mol-model-formats/structure/cube.js +1 -1
- package/lib/commonjs/mol-model-formats/structure/gro.js +1 -1
- package/lib/commonjs/mol-model-formats/structure/mol.js +1 -1
- package/lib/commonjs/mol-model-formats/structure/mol2.js +4 -4
- package/lib/commonjs/mol-model-formats/structure/prmtop.js +1 -1
- package/lib/commonjs/mol-model-formats/structure/property/bonds/chem_comp.js +3 -3
- package/lib/commonjs/mol-model-formats/structure/property/bonds/index-pair.js +1 -1
- package/lib/commonjs/mol-model-formats/structure/property/bonds/struct_conn.js +6 -6
- package/lib/commonjs/mol-model-formats/structure/property/secondary-structure.js +8 -8
- package/lib/commonjs/mol-model-formats/structure/psf.js +1 -1
- package/lib/commonjs/mol-model-formats/structure/top.js +1 -1
- package/lib/commonjs/mol-model-formats/structure/xyz.js +1 -1
- package/lib/commonjs/mol-model-props/computed/accessible-surface-area/shrake-rupley/radii.js +2 -2
- package/lib/commonjs/mol-model-props/computed/accessible-surface-area/shrake-rupley.js +3 -3
- package/lib/commonjs/mol-model-props/computed/accessible-surface-area.js +2 -2
- package/lib/commonjs/mol-model-props/computed/chemistry/functional-group.js +31 -31
- package/lib/commonjs/mol-model-props/computed/chemistry/geometry.js +22 -22
- package/lib/commonjs/mol-model-props/computed/chemistry/valence-model.js +32 -32
- package/lib/commonjs/mol-model-props/computed/interactions/charged.js +39 -39
- package/lib/commonjs/mol-model-props/computed/interactions/common.js +34 -34
- package/lib/commonjs/mol-model-props/computed/interactions/contacts-builder.js +1 -1
- package/lib/commonjs/mol-model-props/computed/interactions/contacts.js +1 -1
- package/lib/commonjs/mol-model-props/computed/interactions/halogen-bonds.js +12 -12
- package/lib/commonjs/mol-model-props/computed/interactions/hydrogen-bonds.js +32 -32
- package/lib/commonjs/mol-model-props/computed/interactions/hydrophobic.js +9 -9
- package/lib/commonjs/mol-model-props/computed/interactions/metal.js +26 -26
- package/lib/commonjs/mol-model-props/computed/interactions/refine.js +20 -20
- package/lib/commonjs/mol-model-props/computed/representations/interactions-inter-unit-cylinder.js +2 -2
- package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js +2 -2
- package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/bends.js +1 -1
- package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/bridges.js +12 -12
- package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/helices.js +6 -6
- package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/ladders.js +3 -3
- package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/sheets.js +11 -11
- package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/turns.js +3 -3
- package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp.js +30 -30
- package/lib/commonjs/mol-model-props/computed/themes/accessible-surface-area.js +1 -1
- package/lib/commonjs/mol-model-props/computed/themes/interaction-type.js +10 -10
- package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/color.js +1 -1
- package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/format.js +3 -3
- package/lib/commonjs/mol-model-props/sequence/sifts-mapping.js +1 -1
- package/lib/commonjs/mol-model-props/sequence/themes/sifts-mapping.js +1 -1
- package/lib/commonjs/mol-plugin/animation-loop.d.ts +2 -1
- package/lib/commonjs/mol-plugin/animation-loop.js +18 -5
- package/lib/commonjs/mol-plugin/behavior/dynamic/camera.js +12 -12
- package/lib/commonjs/mol-plugin/behavior/dynamic/representation.js +7 -7
- package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/model.d.ts +2 -3
- package/lib/commonjs/mol-plugin/config.d.ts +3 -0
- package/lib/commonjs/mol-plugin/config.js +3 -1
- package/lib/commonjs/mol-plugin/context.d.ts +2 -2
- package/lib/commonjs/mol-plugin/context.js +3 -0
- package/lib/commonjs/mol-plugin/state.d.ts +1 -14
- package/lib/commonjs/mol-plugin-state/formats/volume.d.ts +12 -11
- package/lib/commonjs/mol-plugin-state/formats/volume.js +20 -13
- package/lib/commonjs/mol-plugin-state/helpers/structure-selection-query.js +5 -5
- package/lib/commonjs/mol-plugin-state/transforms/representation.js +2 -2
- package/lib/commonjs/mol-plugin-ui/controls/parameters.d.ts +1 -1
- package/lib/commonjs/mol-plugin-ui/controls.js +1 -1
- package/lib/commonjs/mol-plugin-ui/sequence/polymer.js +1 -1
- package/lib/commonjs/mol-plugin-ui/sequence/sequence.js +1 -1
- package/lib/commonjs/mol-plugin-ui/state/snapshots.js +1 -0
- package/lib/commonjs/mol-plugin-ui/structure/focus.js +1 -1
- package/lib/commonjs/mol-plugin-ui/viewport/screenshot.js +1 -0
- package/lib/commonjs/mol-plugin-ui/viewport.d.ts +2 -2
- package/lib/commonjs/mol-repr/shape/representation.d.ts +1 -1
- package/lib/commonjs/mol-repr/shape/representation.js +2 -1
- package/lib/commonjs/mol-repr/structure/complex-visual.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/complex-visual.js +2 -1
- package/lib/commonjs/mol-repr/structure/units-visual.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/units-visual.js +2 -1
- package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-cylinder.js +10 -10
- package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-line.js +10 -10
- package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-cylinder.js +12 -15
- package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-line.js +12 -15
- package/lib/commonjs/mol-repr/structure/visual/carbohydrate-symbol-mesh.js +16 -16
- package/lib/commonjs/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-mesh.js +9 -0
- package/lib/commonjs/mol-repr/structure/visual/orientation-ellipsoid-mesh.js +4 -4
- package/lib/commonjs/mol-repr/structure/visual/polymer-direction-wedge.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/polymer-trace-mesh.js +2 -2
- package/lib/commonjs/mol-repr/structure/visual/util/bond.js +2 -2
- package/lib/commonjs/mol-repr/structure/visual/util/common.js +3 -3
- package/lib/commonjs/mol-repr/structure/visual/util/link.js +30 -30
- package/lib/commonjs/mol-repr/structure/visual/util/polymer/backbone.js +6 -6
- package/lib/commonjs/mol-repr/structure/visual/util/polymer/gap-iterator.js +3 -3
- package/lib/commonjs/mol-repr/structure/visual/util/polymer/trace-iterator.js +20 -20
- package/lib/commonjs/mol-repr/structure/visual/util/polymer.js +6 -6
- package/lib/commonjs/mol-repr/volume/representation.d.ts +1 -1
- package/lib/commonjs/mol-repr/volume/representation.js +2 -1
- package/lib/commonjs/mol-script/language/builder.d.ts +1 -0
- package/lib/commonjs/mol-script/language/symbol-table/core.d.ts +2 -2
- package/lib/commonjs/mol-script/runtime/query/table.js +13 -13
- package/lib/commonjs/mol-state/object.d.ts +3 -3
- package/lib/commonjs/mol-task/util/user-timing.js +1 -1
- package/lib/commonjs/mol-theme/clipping.js +19 -19
- package/lib/commonjs/mol-theme/color/atom-id.js +1 -1
- package/lib/commonjs/mol-theme/color/carbohydrate-symbol.js +1 -1
- package/lib/commonjs/mol-theme/color/chain-id.js +4 -4
- package/lib/commonjs/mol-theme/color/element-index.js +1 -1
- package/lib/commonjs/mol-theme/color/element-symbol.js +1 -1
- package/lib/commonjs/mol-theme/color/entity-id.js +4 -4
- package/lib/commonjs/mol-theme/color/entity-source.js +5 -4
- package/lib/commonjs/mol-theme/color/hydrophobicity.js +1 -1
- package/lib/commonjs/mol-theme/color/illustrative.js +1 -1
- package/lib/commonjs/mol-theme/color/model-index.js +1 -1
- package/lib/commonjs/mol-theme/color/molecule-type.js +8 -8
- package/lib/commonjs/mol-theme/color/occupancy.js +1 -1
- package/lib/commonjs/mol-theme/color/operator-hkl.js +1 -1
- package/lib/commonjs/mol-theme/color/operator-name.js +1 -1
- package/lib/commonjs/mol-theme/color/partial-charge.js +1 -1
- package/lib/commonjs/mol-theme/color/polymer-id.js +4 -4
- package/lib/commonjs/mol-theme/color/polymer-index.js +1 -1
- package/lib/commonjs/mol-theme/color/residue-name.js +1 -1
- package/lib/commonjs/mol-theme/color/secondary-structure.js +12 -12
- package/lib/commonjs/mol-theme/color/sequence-id.js +7 -7
- package/lib/commonjs/mol-theme/color/shape-group.js +1 -1
- package/lib/commonjs/mol-theme/color/uncertainty.js +1 -1
- package/lib/commonjs/mol-theme/color/uniform.js +1 -1
- package/lib/commonjs/mol-theme/color/unit-index.js +1 -1
- package/lib/commonjs/mol-theme/color/volume-value.js +1 -1
- package/lib/commonjs/mol-theme/label.js +3 -3
- package/lib/commonjs/mol-util/binding.js +4 -4
- package/lib/commonjs/mol-util/debug.d.ts +6 -1
- package/lib/commonjs/mol-util/debug.js +11 -1
- package/lib/commonjs/mol-util/input/input-observer.js +20 -20
- package/lib/commonjs/mol-util/string-builder.js +1 -1
- package/lib/commonjs/servers/model/preprocess/converter.js +1 -1
- package/lib/commonjs/servers/model/server/query.js +1 -1
- package/lib/commonjs/servers/model/utils/fetch-retry.js +3 -2
- package/lib/commonjs/servers/volume/server/algebra/coordinate.js +6 -6
- package/lib/commonjs/servers/volume/server/query/encode.js +1 -1
- package/lib/examples/alpha-orbitals/index.d.ts +1 -1
- package/lib/examples/alpha-orbitals/index.html +72 -61
- package/lib/examples/alpha-orbitals/index.js +4 -1
- package/lib/examples/basic-wrapper/custom-theme.js +1 -1
- package/lib/examples/basic-wrapper/index.html +137 -137
- package/lib/examples/lighting/index.html +88 -88
- package/lib/examples/proteopedia-wrapper/coloring.js +3 -3
- package/lib/examples/proteopedia-wrapper/index.html +236 -236
- package/lib/extensions/alpha-orbitals/density.d.ts +1 -1
- package/lib/extensions/alpha-orbitals/density.js +6 -2
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buttons = 2 /* Secondary */ & 4 /* Auxilary */;
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buttons = 2 /* ButtonsType.Flag.Secondary */ & 4 /* ButtonsType.Flag.Auxilary */;
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button = 2 /* ButtonsType.Flag.Secondary */;
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onPointerDown(getCenterTouch(ev));
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onPointerDown(getCenterTouch(ev));
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endDrag();
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button = 0 /* None */;
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button = 0 /* ButtonsType.Flag.None */;
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ev.stopPropagation();
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buttons = 1 /* Primary */;
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buttons = 1 /* ButtonsType.Flag.Primary */;
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onPointerMove(ev.touches[0]);
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}
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buttons = 2 /* Secondary */;
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buttons = 2 /* ButtonsType.Flag.Secondary */;
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onPointerMove(getCenterTouch(ev));
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}
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else {
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buttons = 4 /* Auxilary */;
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+
buttons = 4 /* ButtonsType.Flag.Auxilary */;
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|
updateModifierKeys(ev);
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var fraction = lastTouchDistance / touchDistance;
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pinch.next({
|
|
@@ -371,7 +371,7 @@ var InputObserver;
|
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lastTouchDistance = touchDistance;
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}
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else if (ev.touches.length === 3) {
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buttons = 8 /* Forth */;
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+
buttons = 8 /* ButtonsType.Flag.Forth */;
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|
onPointerMove(getCenterTouch(ev));
|
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|
}
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|
}
|
|
@@ -379,7 +379,7 @@ var InputObserver;
|
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|
updateModifierKeys(ev);
|
|
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380
|
buttons = getButtons(ev);
|
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381
|
button = getButton(ev);
|
|
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|
-
if (noMiddleClickScroll && buttons === 4 /* Auxilary */) {
|
|
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|
+
if (noMiddleClickScroll && buttons === 4 /* ButtonsType.Flag.Auxilary */) {
|
|
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383
|
ev.preventDefault;
|
|
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384
|
}
|
|
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385
|
onPointerDown(ev);
|
|
@@ -387,7 +387,7 @@ var InputObserver;
|
|
|
387
387
|
function onMouseMove(ev) {
|
|
388
388
|
updateModifierKeys(ev);
|
|
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389
|
buttons = getButtons(ev);
|
|
390
|
-
button = 0 /* None */;
|
|
390
|
+
button = 0 /* ButtonsType.Flag.None */;
|
|
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391
|
onPointerMove(ev);
|
|
392
392
|
}
|
|
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393
|
function onMouseUp(ev) {
|
|
@@ -406,11 +406,11 @@ var InputObserver;
|
|
|
406
406
|
eventOffset(pointerStart, ev);
|
|
407
407
|
linear_algebra_1.Vec2.copy(pointerDown, pointerStart);
|
|
408
408
|
if (insideBounds(pointerStart)) {
|
|
409
|
-
dragging = 1 /* Started */;
|
|
409
|
+
dragging = 1 /* DraggingState.Started */;
|
|
410
410
|
}
|
|
411
411
|
}
|
|
412
412
|
function onPointerUp(ev) {
|
|
413
|
-
dragging = 0 /* Stopped */;
|
|
413
|
+
dragging = 0 /* DraggingState.Stopped */;
|
|
414
414
|
if (!mask(ev.clientX, ev.clientY))
|
|
415
415
|
return;
|
|
416
416
|
eventOffset(pointerEnd, ev);
|
|
@@ -427,7 +427,7 @@ var InputObserver;
|
|
|
427
427
|
var x = pointerEnd[0], y = pointerEnd[1];
|
|
428
428
|
var inside = insideBounds(pointerEnd);
|
|
429
429
|
move.next({ x: x, y: y, pageX: pageX, pageY: pageY, buttons: buttons, button: button, modifiers: getModifierKeys(), inside: inside });
|
|
430
|
-
if (dragging === 0 /* Stopped */)
|
|
430
|
+
if (dragging === 0 /* DraggingState.Stopped */)
|
|
431
431
|
return;
|
|
432
432
|
if (noTextSelect) {
|
|
433
433
|
(_a = ev.preventDefault) === null || _a === void 0 ? void 0 : _a.call(ev);
|
|
@@ -435,13 +435,13 @@ var InputObserver;
|
|
|
435
435
|
linear_algebra_1.Vec2.div(pointerDelta, linear_algebra_1.Vec2.sub(pointerDelta, pointerEnd, pointerStart), getClientSize(rectSize));
|
|
436
436
|
if (linear_algebra_1.Vec2.magnitude(pointerDelta) < linear_algebra_1.EPSILON)
|
|
437
437
|
return;
|
|
438
|
-
var isStart = dragging === 1 /* Started */;
|
|
438
|
+
var isStart = dragging === 1 /* DraggingState.Started */;
|
|
439
439
|
if (isStart && !mask(ev.clientX, ev.clientY))
|
|
440
440
|
return;
|
|
441
441
|
var dx = pointerDelta[0], dy = pointerDelta[1];
|
|
442
442
|
drag.next({ x: x, y: y, dx: dx, dy: dy, pageX: pageX, pageY: pageY, buttons: buttons, button: button, modifiers: getModifierKeys(), isStart: isStart });
|
|
443
443
|
linear_algebra_1.Vec2.copy(pointerStart, pointerEnd);
|
|
444
|
-
dragging = 2 /* Moving */;
|
|
444
|
+
dragging = 2 /* DraggingState.Moving */;
|
|
445
445
|
}
|
|
446
446
|
function onMouseWheel(ev) {
|
|
447
447
|
if (!mask(ev.clientX, ev.clientY))
|
|
@@ -453,7 +453,7 @@ var InputObserver;
|
|
|
453
453
|
ev.preventDefault();
|
|
454
454
|
}
|
|
455
455
|
var normalized = normalizeWheel(ev);
|
|
456
|
-
buttons = button = 4 /* Auxilary */;
|
|
456
|
+
buttons = button = 4 /* ButtonsType.Flag.Auxilary */;
|
|
457
457
|
if (normalized.dx || normalized.dy || normalized.dz) {
|
|
458
458
|
wheel.next(tslib_1.__assign(tslib_1.__assign({ x: x, y: y, pageX: pageX, pageY: pageY }, normalized), { buttons: buttons, button: button, modifiers: getModifierKeys() }));
|
|
459
459
|
}
|
|
@@ -20,7 +20,7 @@ function getCategoryInstanceProvider(cat, fields) {
|
|
|
20
20
|
function classify(name, field) {
|
|
21
21
|
var type = (0, cif_1.getCifFieldType)(field);
|
|
22
22
|
if (type['@type'] === 'str') {
|
|
23
|
-
return { name: name, type: 0 /* Str */, value: field.str, valueKind: field.valueKind };
|
|
23
|
+
return { name: name, type: 0 /* CifWriter.Field.Type.Str */, value: field.str, valueKind: field.valueKind };
|
|
24
24
|
}
|
|
25
25
|
else if (type['@type'] === 'float') {
|
|
26
26
|
return cif_2.CifWriter.Field.float(name, field.float, { valueKind: field.valueKind, typedArray: Float64Array });
|
|
@@ -318,7 +318,7 @@ function abortingObserver(p) {
|
|
|
318
318
|
exports.abortingObserver = abortingObserver;
|
|
319
319
|
function string(name, str, isSpecified) {
|
|
320
320
|
if (isSpecified) {
|
|
321
|
-
return CifField.str(name, function (i, d) { return str(d, i); }, { valueKind: function (i, d) { return isSpecified(d) ? 0 /* Present */ : 1 /* NotPresent */; } });
|
|
321
|
+
return CifField.str(name, function (i, d) { return str(d, i); }, { valueKind: function (i, d) { return isSpecified(d) ? 0 /* Column.ValueKind.Present */ : 1 /* Column.ValueKind.NotPresent */; } });
|
|
322
322
|
}
|
|
323
323
|
return CifField.str(name, function (i, d) { return str(d, i); });
|
|
324
324
|
}
|
|
@@ -18,13 +18,14 @@ function isRetriableNetworkError(error) {
|
|
|
18
18
|
}
|
|
19
19
|
function fetchRetry(url, timeout, retryCount, onRetry) {
|
|
20
20
|
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
21
|
-
var controller, id, result;
|
|
21
|
+
var controller, id, signal, result;
|
|
22
22
|
return tslib_1.__generator(this, function (_a) {
|
|
23
23
|
switch (_a.label) {
|
|
24
24
|
case 0:
|
|
25
25
|
controller = new AbortController();
|
|
26
26
|
id = setTimeout(function () { return controller.abort(); }, timeout);
|
|
27
|
-
|
|
27
|
+
signal = controller.signal;
|
|
28
|
+
return [4 /*yield*/, (0, retry_if_1.retryIf)(function () { return (0, node_fetch_1.default)(url, { signal: signal }); }, {
|
|
28
29
|
retryThenIf: function (r) { return r.status === 408 /** timeout */ || r.status === 429 /** too many requests */ || (r.status >= 500 && r.status < 600); },
|
|
29
30
|
// TODO test retryCatchIf
|
|
30
31
|
retryCatchIf: function (e) { return isRetriableNetworkError(e); },
|
|
@@ -19,22 +19,22 @@ function domain(kind, info) {
|
|
|
19
19
|
}
|
|
20
20
|
exports.domain = domain;
|
|
21
21
|
function cartesian(x, y, z) {
|
|
22
|
-
return { 0: x, 1: y, 2: z, kind: 0 /* Cartesian */ };
|
|
22
|
+
return { 0: x, 1: y, 2: z, kind: 0 /* Space.Cartesian */ };
|
|
23
23
|
}
|
|
24
24
|
exports.cartesian = cartesian;
|
|
25
25
|
function fractional(x, y, z) {
|
|
26
|
-
return { 0: x, 1: y, 2: z, kind: 1 /* Fractional */ };
|
|
26
|
+
return { 0: x, 1: y, 2: z, kind: 1 /* Space.Fractional */ };
|
|
27
27
|
}
|
|
28
28
|
exports.fractional = fractional;
|
|
29
29
|
function grid(domain, x, y, z) {
|
|
30
|
-
return { 0: x, 1: y, 2: z, kind: 2 /* Grid */, domain: domain };
|
|
30
|
+
return { 0: x, 1: y, 2: z, kind: 2 /* Space.Grid */, domain: domain };
|
|
31
31
|
}
|
|
32
32
|
exports.grid = grid;
|
|
33
33
|
function withCoord(a, x, y, z) {
|
|
34
34
|
switch (a.kind) {
|
|
35
|
-
case 0 /* Cartesian */: return cartesian(x, y, z);
|
|
36
|
-
case 1 /* Fractional */: return fractional(x, y, z);
|
|
37
|
-
case 2 /* Grid */: return grid(a.domain, x, y, z);
|
|
35
|
+
case 0 /* Space.Cartesian */: return cartesian(x, y, z);
|
|
36
|
+
case 1 /* Space.Fractional */: return fractional(x, y, z);
|
|
37
|
+
case 2 /* Space.Grid */: return grid(a.domain, x, y, z);
|
|
38
38
|
}
|
|
39
39
|
}
|
|
40
40
|
exports.withCoord = withCoord;
|
|
@@ -21,7 +21,7 @@ function encode(query, output) {
|
|
|
21
21
|
exports.encode = encode;
|
|
22
22
|
function string(name, str, isSpecified) {
|
|
23
23
|
if (isSpecified) {
|
|
24
|
-
return cif_1.CifWriter.Field.str(name, function (i, d) { return str(d); }, { valueKind: function (i, d) { return isSpecified(d) ? 0 /* Present */ : 1 /* NotPresent */; } });
|
|
24
|
+
return cif_1.CifWriter.Field.str(name, function (i, d) { return str(d); }, { valueKind: function (i, d) { return isSpecified(d) ? 0 /* Column.ValueKind.Present */ : 1 /* Column.ValueKind.NotPresent */; } });
|
|
25
25
|
}
|
|
26
26
|
return cif_1.CifWriter.Field.str(name, function (i, d) { return str(d); });
|
|
27
27
|
}
|
|
@@ -1,62 +1,73 @@
|
|
|
1
|
-
<!DOCTYPE html>
|
|
2
|
-
<html lang="en">
|
|
3
|
-
<head>
|
|
4
|
-
<meta charset="utf-8" />
|
|
5
|
-
<meta name="viewport" content="width=device-width, user-scalable=no, minimum-scale=1.0, maximum-scale=1.0">
|
|
6
|
-
<title>Mol* Alpha Orbitals Example</title>
|
|
7
|
-
<style>
|
|
8
|
-
* {
|
|
9
|
-
margin: 0;
|
|
10
|
-
padding: 0;
|
|
11
|
-
box-sizing: border-box;
|
|
12
|
-
}
|
|
13
|
-
#app {
|
|
14
|
-
position: absolute;
|
|
15
|
-
left: 0;
|
|
16
|
-
top: 0;
|
|
17
|
-
bottom: 0;
|
|
18
|
-
right: 0;
|
|
19
|
-
}
|
|
20
|
-
#controls {
|
|
21
|
-
position: absolute;
|
|
22
|
-
left: 8px;
|
|
23
|
-
top: 8px;
|
|
24
|
-
width: 300px;
|
|
25
|
-
}
|
|
26
|
-
#sponsor {
|
|
27
|
-
position: absolute;
|
|
28
|
-
left: 8px;
|
|
29
|
-
bottom: 8px;
|
|
30
|
-
font-family: "Helvetica Neue", "Segoe UI", Helvetica, "Source Sans Pro", Arial, sans-serif;
|
|
31
|
-
font-size: 12px;
|
|
32
|
-
text-align: center;
|
|
33
|
-
}
|
|
34
|
-
#sponsor svg {
|
|
35
|
-
fill: #128EA4;
|
|
36
|
-
width: 100px;
|
|
37
|
-
}
|
|
38
|
-
#sponsor a {
|
|
39
|
-
text-decoration: none;
|
|
40
|
-
color: #128EA4;
|
|
41
|
-
}
|
|
42
|
-
</style>
|
|
43
|
-
<link rel="stylesheet" type="text/css" href="molstar.css" />
|
|
44
|
-
<script type="text/javascript" src="./index.js"></script>
|
|
45
|
-
</head>
|
|
46
|
-
<body>
|
|
47
|
-
<div id="app"></div>
|
|
48
|
-
<div id='controls'></div>
|
|
49
|
-
<div id='sponsor'>
|
|
50
|
-
<a href='https://www.entos.ai/envision' target="_blank" rel="noopener">
|
|
51
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/**
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* Copyright (c) 2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
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import { DemoMoleculeSDF, DemoOrbitals } from './example-data';
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