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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case 'six': return 32 /* Six */;
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+
case 'one': return 1 /* Flag.One */;
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case 'two': return 2 /* Flag.Two */;
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case 'three': return 4 /* Flag.Three */;
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case 'four': return 8 /* Flag.Four */;
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case 'five': return 16 /* Flag.Five */;
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case 'six': return 32 /* Flag.Six */;
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}
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}
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Groups.fromName = fromName;
|
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function fromNames(names) {
|
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-
var f = 0 /* None */;
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+
var f = 0 /* Flag.None */;
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for (var i = 0, il = names.length; i < il; ++i) {
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f |= fromName(names[i]);
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}
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@@ -53,17 +53,17 @@ function Clipping(layers) {
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Groups.fromNames = fromNames;
|
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function toNames(groups) {
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var names = [];
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-
if (Groups.is(groups, 1 /* One */))
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+
if (Groups.is(groups, 1 /* Flag.One */))
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names.push('one');
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if (Groups.is(groups, 2 /* Two */))
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if (Groups.is(groups, 2 /* Flag.Two */))
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names.push('two');
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if (Groups.is(groups, 4 /* Three */))
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if (Groups.is(groups, 4 /* Flag.Three */))
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names.push('three');
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if (Groups.is(groups, 8 /* Four */))
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if (Groups.is(groups, 8 /* Flag.Four */))
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names.push('four');
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if (Groups.is(groups, 16 /* Five */))
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if (Groups.is(groups, 16 /* Flag.Five */))
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names.push('five');
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if (Groups.is(groups, 32 /* Six */))
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+
if (Groups.is(groups, 32 /* Flag.Six */))
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names.push('six');
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return names;
|
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|
}
|
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@@ -70,7 +70,7 @@ export function AtomIdColorTheme(ctx, props) {
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|
export var AtomIdColorThemeProvider = {
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name: 'atom-id',
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label: 'Atom Id',
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-
category: "Atom Property" /* Atom */,
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+
category: "Atom Property" /* ColorTheme.Category.Atom */,
|
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factory: AtomIdColorTheme,
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getParams: getAtomIdColorThemeParams,
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defaultValues: PD.getDefaultValues(AtomIdColorThemeParams),
|
|
@@ -54,7 +54,7 @@ export function CarbohydrateSymbolColorTheme(ctx, props) {
|
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export var CarbohydrateSymbolColorThemeProvider = {
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name: 'carbohydrate-symbol',
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label: 'Carbohydrate Symbol',
|
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-
category: "Residue Property" /* Residue */,
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|
+
category: "Residue Property" /* ColorTheme.Category.Residue */,
|
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|
factory: CarbohydrateSymbolColorTheme,
|
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|
getParams: getCarbohydrateSymbolColorThemeParams,
|
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|
defaultValues: PD.getDefaultValues(CarbohydrateSymbolColorThemeParams),
|
|
@@ -22,12 +22,12 @@ export function getChainIdColorThemeParams(ctx) {
|
|
|
22
22
|
}
|
|
23
23
|
function getAsymId(unit, type) {
|
|
24
24
|
switch (unit.kind) {
|
|
25
|
-
case 0 /* Atomic */:
|
|
25
|
+
case 0 /* Unit.Kind.Atomic */:
|
|
26
26
|
return type === 'auth'
|
|
27
27
|
? StructureProperties.chain.auth_asym_id
|
|
28
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|
: StructureProperties.chain.label_asym_id;
|
|
29
|
-
case 1 /* Spheres */:
|
|
30
|
-
case 2 /* Gaussians */:
|
|
29
|
+
case 1 /* Unit.Kind.Spheres */:
|
|
30
|
+
case 2 /* Unit.Kind.Gaussians */:
|
|
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|
return StructureProperties.coarse.asym_id;
|
|
32
32
|
}
|
|
33
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|
}
|
|
@@ -104,7 +104,7 @@ export function ChainIdColorTheme(ctx, props) {
|
|
|
104
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|
export var ChainIdColorThemeProvider = {
|
|
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|
name: 'chain-id',
|
|
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|
label: 'Chain Id',
|
|
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|
-
category: "Chain Property" /* Chain */,
|
|
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|
+
category: "Chain Property" /* ColorTheme.Category.Chain */,
|
|
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|
factory: ChainIdColorTheme,
|
|
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|
getParams: getChainIdColorThemeParams,
|
|
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|
defaultValues: PD.getDefaultValues(ChainIdColorThemeParams),
|
|
@@ -61,7 +61,7 @@ export function ElementIndexColorTheme(ctx, props) {
|
|
|
61
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|
export var ElementIndexColorThemeProvider = {
|
|
62
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|
name: 'element-index',
|
|
63
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|
label: 'Element Index',
|
|
64
|
-
category: "Atom Property" /* Atom */,
|
|
64
|
+
category: "Atom Property" /* ColorTheme.Category.Atom */,
|
|
65
65
|
factory: ElementIndexColorTheme,
|
|
66
66
|
getParams: getElementIndexColorThemeParams,
|
|
67
67
|
defaultValues: PD.getDefaultValues(ElementIndexColorThemeParams),
|
|
@@ -88,7 +88,7 @@ export function ElementSymbolColorTheme(ctx, props) {
|
|
|
88
88
|
export var ElementSymbolColorThemeProvider = {
|
|
89
89
|
name: 'element-symbol',
|
|
90
90
|
label: 'Element Symbol',
|
|
91
|
-
category: "Atom Property" /* Atom */,
|
|
91
|
+
category: "Atom Property" /* ColorTheme.Category.Atom */,
|
|
92
92
|
factory: ElementSymbolColorTheme,
|
|
93
93
|
getParams: getElementSymbolColorThemeParams,
|
|
94
94
|
defaultValues: PD.getDefaultValues(ElementSymbolColorThemeParams),
|
|
@@ -48,10 +48,10 @@ function getEntityIdSerialMap(structure) {
|
|
|
48
48
|
}
|
|
49
49
|
function getEntityId(location) {
|
|
50
50
|
switch (location.unit.kind) {
|
|
51
|
-
case 0 /* Atomic */:
|
|
51
|
+
case 0 /* Unit.Kind.Atomic */:
|
|
52
52
|
return StructureProperties.chain.label_entity_id(location);
|
|
53
|
-
case 1 /* Spheres */:
|
|
54
|
-
case 2 /* Gaussians */:
|
|
53
|
+
case 1 /* Unit.Kind.Spheres */:
|
|
54
|
+
case 2 /* Unit.Kind.Gaussians */:
|
|
55
55
|
return StructureProperties.coarse.entity_id(location);
|
|
56
56
|
}
|
|
57
57
|
}
|
|
@@ -99,7 +99,7 @@ export function EntityIdColorTheme(ctx, props) {
|
|
|
99
99
|
export var EntityIdColorThemeProvider = {
|
|
100
100
|
name: 'entity-id',
|
|
101
101
|
label: 'Entity Id',
|
|
102
|
-
category: "Chain Property" /* Chain */,
|
|
102
|
+
category: "Chain Property" /* ColorTheme.Category.Chain */,
|
|
103
103
|
factory: EntityIdColorTheme,
|
|
104
104
|
getParams: getEntityIdColorThemeParams,
|
|
105
105
|
defaultValues: PD.getDefaultValues(EntityIdColorThemeParams),
|
|
@@ -50,9 +50,10 @@ function addSrc(seqToSrcByModelEntity, srcKeySerialMap, modelIndex, model, entit
|
|
|
50
50
|
var gene = gene_src_gene ? gene_src_gene.value(j)[0] : '';
|
|
51
51
|
var sK = srcKey(modelIndex, entityId, scientific_name.value(j), pdbx_src_id.value(j), plasmid, gene);
|
|
52
52
|
// may not be given (= 0) indicating src is for the whole seq
|
|
53
|
-
var beg = pdbx_beg_seq_num.valueKind(j) === 0 /* Present */ ? pdbx_beg_seq_num.value(j) : 1;
|
|
54
|
-
var end = pdbx_end_seq_num.valueKind(j) === 0 /* Present */ ? pdbx_end_seq_num.value(j) : seqToSrc.length;
|
|
55
|
-
var srcIndex =
|
|
53
|
+
var beg = pdbx_beg_seq_num.valueKind(j) === 0 /* Column.ValueKind.Present */ ? pdbx_beg_seq_num.value(j) : 1;
|
|
54
|
+
var end = pdbx_end_seq_num.valueKind(j) === 0 /* Column.ValueKind.Present */ ? pdbx_end_seq_num.value(j) : seqToSrc.length;
|
|
55
|
+
var srcIndex = // serial no starting from 1
|
|
56
|
+
void 0; // serial no starting from 1
|
|
56
57
|
if (srcKeySerialMap.has(sK)) {
|
|
57
58
|
srcIndex = srcKeySerialMap.get(sK);
|
|
58
59
|
}
|
|
@@ -142,7 +143,7 @@ export function EntitySourceColorTheme(ctx, props) {
|
|
|
142
143
|
export var EntitySourceColorThemeProvider = {
|
|
143
144
|
name: 'entity-source',
|
|
144
145
|
label: 'Entity Source',
|
|
145
|
-
category: "Chain Property" /* Chain */,
|
|
146
|
+
category: "Chain Property" /* ColorTheme.Category.Chain */,
|
|
146
147
|
factory: EntitySourceColorTheme,
|
|
147
148
|
getParams: getEntitySourceColorThemeParams,
|
|
148
149
|
defaultValues: PD.getDefaultValues(EntitySourceColorThemeParams),
|
|
@@ -81,7 +81,7 @@ export function HydrophobicityColorTheme(ctx, props) {
|
|
|
81
81
|
export var HydrophobicityColorThemeProvider = {
|
|
82
82
|
name: 'hydrophobicity',
|
|
83
83
|
label: 'Hydrophobicity',
|
|
84
|
-
category: "Residue Property" /* Residue */,
|
|
84
|
+
category: "Residue Property" /* ColorTheme.Category.Residue */,
|
|
85
85
|
factory: HydrophobicityColorTheme,
|
|
86
86
|
getParams: getHydrophobicityColorThemeParams,
|
|
87
87
|
defaultValues: PD.getDefaultValues(HydrophobicityColorThemeParams),
|
|
@@ -64,7 +64,7 @@ export function IllustrativeColorTheme(ctx, props) {
|
|
|
64
64
|
export var IllustrativeColorThemeProvider = {
|
|
65
65
|
name: 'illustrative',
|
|
66
66
|
label: 'Illustrative',
|
|
67
|
-
category: "Miscellaneous" /* Misc */,
|
|
67
|
+
category: "Miscellaneous" /* ColorTheme.Category.Misc */,
|
|
68
68
|
factory: IllustrativeColorTheme,
|
|
69
69
|
getParams: getIllustrativeColorThemeParams,
|
|
70
70
|
defaultValues: PD.getDefaultValues(IllustrativeColorThemeParams),
|
|
@@ -57,7 +57,7 @@ export function ModelIndexColorTheme(ctx, props) {
|
|
|
57
57
|
export var ModelIndexColorThemeProvider = {
|
|
58
58
|
name: 'model-index',
|
|
59
59
|
label: 'Model Index',
|
|
60
|
-
category: "Chain Property" /* Chain */,
|
|
60
|
+
category: "Chain Property" /* ColorTheme.Category.Chain */,
|
|
61
61
|
factory: ModelIndexColorTheme,
|
|
62
62
|
getParams: getModelIndexColorThemeParams,
|
|
63
63
|
defaultValues: PD.getDefaultValues(ModelIndexColorThemeParams),
|
|
@@ -35,13 +35,13 @@ export function getMoleculeTypeColorThemeParams(ctx) {
|
|
|
35
35
|
export function moleculeTypeColor(colorMap, unit, element) {
|
|
36
36
|
var moleculeType = getElementMoleculeType(unit, element);
|
|
37
37
|
switch (moleculeType) {
|
|
38
|
-
case 2 /* Water */: return colorMap.water;
|
|
39
|
-
case 3 /* Ion */: return colorMap.ion;
|
|
40
|
-
case 5 /* Protein */: return colorMap.protein;
|
|
41
|
-
case 6 /* RNA */: return colorMap.RNA;
|
|
42
|
-
case 7 /* DNA */: return colorMap.DNA;
|
|
43
|
-
case 8 /* PNA */: return colorMap.PNA;
|
|
44
|
-
case 9 /* Saccharide */: return colorMap.saccharide;
|
|
38
|
+
case 2 /* MoleculeType.Water */: return colorMap.water;
|
|
39
|
+
case 3 /* MoleculeType.Ion */: return colorMap.ion;
|
|
40
|
+
case 5 /* MoleculeType.Protein */: return colorMap.protein;
|
|
41
|
+
case 6 /* MoleculeType.RNA */: return colorMap.RNA;
|
|
42
|
+
case 7 /* MoleculeType.DNA */: return colorMap.DNA;
|
|
43
|
+
case 8 /* MoleculeType.PNA */: return colorMap.PNA;
|
|
44
|
+
case 9 /* MoleculeType.Saccharide */: return colorMap.saccharide;
|
|
45
45
|
}
|
|
46
46
|
return DefaultMoleculeTypeColor;
|
|
47
47
|
}
|
|
@@ -70,7 +70,7 @@ export function MoleculeTypeColorTheme(ctx, props) {
|
|
|
70
70
|
export var MoleculeTypeColorThemeProvider = {
|
|
71
71
|
name: 'molecule-type',
|
|
72
72
|
label: 'Molecule Type',
|
|
73
|
-
category: "Residue Property" /* Residue */,
|
|
73
|
+
category: "Residue Property" /* ColorTheme.Category.Residue */,
|
|
74
74
|
factory: MoleculeTypeColorTheme,
|
|
75
75
|
getParams: getMoleculeTypeColorThemeParams,
|
|
76
76
|
defaultValues: PD.getDefaultValues(MoleculeTypeColorThemeParams),
|
|
@@ -51,7 +51,7 @@ export function OccupancyColorTheme(ctx, props) {
|
|
|
51
51
|
export var OccupancyColorThemeProvider = {
|
|
52
52
|
name: 'occupancy',
|
|
53
53
|
label: 'Occupancy',
|
|
54
|
-
category: "Atom Property" /* Atom */,
|
|
54
|
+
category: "Atom Property" /* ColorTheme.Category.Atom */,
|
|
55
55
|
factory: OccupancyColorTheme,
|
|
56
56
|
getParams: getOccupancyColorThemeParams,
|
|
57
57
|
defaultValues: PD.getDefaultValues(OccupancyColorThemeParams),
|
|
@@ -100,7 +100,7 @@ export function OperatorHklColorTheme(ctx, props) {
|
|
|
100
100
|
export var OperatorHklColorThemeProvider = {
|
|
101
101
|
name: 'operator-hkl',
|
|
102
102
|
label: 'Operator HKL',
|
|
103
|
-
category: "Symmetry" /* Symmetry */,
|
|
103
|
+
category: "Symmetry" /* ColorTheme.Category.Symmetry */,
|
|
104
104
|
factory: OperatorHklColorTheme,
|
|
105
105
|
getParams: getOperatorHklColorThemeParams,
|
|
106
106
|
defaultValues: PD.getDefaultValues(OperatorHklColorThemeParams),
|
|
@@ -62,7 +62,7 @@ export function OperatorNameColorTheme(ctx, props) {
|
|
|
62
62
|
export var OperatorNameColorThemeProvider = {
|
|
63
63
|
name: 'operator-name',
|
|
64
64
|
label: 'Operator Name',
|
|
65
|
-
category: "Symmetry" /* Symmetry */,
|
|
65
|
+
category: "Symmetry" /* ColorTheme.Category.Symmetry */,
|
|
66
66
|
factory: OperatorNameColorTheme,
|
|
67
67
|
getParams: getOperatorNameColorThemeParams,
|
|
68
68
|
defaultValues: PD.getDefaultValues(OperatorNameColorThemeParams),
|
|
@@ -49,7 +49,7 @@ export function PartialChargeColorTheme(ctx, props) {
|
|
|
49
49
|
export var PartialChargeColorThemeProvider = {
|
|
50
50
|
name: 'partial-charge',
|
|
51
51
|
label: 'Partial Charge',
|
|
52
|
-
category: "Atom Property" /* Atom */,
|
|
52
|
+
category: "Atom Property" /* ColorTheme.Category.Atom */,
|
|
53
53
|
factory: PartialChargeColorTheme,
|
|
54
54
|
getParams: getPartialChargeColorThemeParams,
|
|
55
55
|
defaultValues: PD.getDefaultValues(PartialChargeColorThemeParams),
|
|
@@ -26,10 +26,10 @@ export function getPolymerIdColorThemeParams(ctx) {
|
|
|
26
26
|
}
|
|
27
27
|
function getAsymId(unit) {
|
|
28
28
|
switch (unit.kind) {
|
|
29
|
-
case 0 /* Atomic */:
|
|
29
|
+
case 0 /* Unit.Kind.Atomic */:
|
|
30
30
|
return StructureProperties.chain.label_asym_id;
|
|
31
|
-
case 1 /* Spheres */:
|
|
32
|
-
case 2 /* Gaussians */:
|
|
31
|
+
case 1 /* Unit.Kind.Spheres */:
|
|
32
|
+
case 2 /* Unit.Kind.Gaussians */:
|
|
33
33
|
return StructureProperties.coarse.asym_id;
|
|
34
34
|
}
|
|
35
35
|
}
|
|
@@ -112,7 +112,7 @@ export function PolymerIdColorTheme(ctx, props) {
|
|
|
112
112
|
export var PolymerIdColorThemeProvider = {
|
|
113
113
|
name: 'polymer-id',
|
|
114
114
|
label: 'Polymer Chain Id',
|
|
115
|
-
category: "Chain Property" /* Chain */,
|
|
115
|
+
category: "Chain Property" /* ColorTheme.Category.Chain */,
|
|
116
116
|
factory: PolymerIdColorTheme,
|
|
117
117
|
getParams: getPolymerIdColorThemeParams,
|
|
118
118
|
defaultValues: PD.getDefaultValues(PolymerIdColorThemeParams),
|
|
@@ -72,7 +72,7 @@ export function PolymerIndexColorTheme(ctx, props) {
|
|
|
72
72
|
export var PolymerIndexColorThemeProvider = {
|
|
73
73
|
name: 'polymer-index',
|
|
74
74
|
label: 'Polymer Chain Instance',
|
|
75
|
-
category: "Chain Property" /* Chain */,
|
|
75
|
+
category: "Chain Property" /* ColorTheme.Category.Chain */,
|
|
76
76
|
factory: PolymerIndexColorTheme,
|
|
77
77
|
getParams: getPolymerIndexColorThemeParams,
|
|
78
78
|
defaultValues: PD.getDefaultValues(PolymerIndexColorThemeParams),
|
|
@@ -123,7 +123,7 @@ export function ResidueNameColorTheme(ctx, props) {
|
|
|
123
123
|
export var ResidueNameColorThemeProvider = {
|
|
124
124
|
name: 'residue-name',
|
|
125
125
|
label: 'Residue Name',
|
|
126
|
-
category: "Residue Property" /* Residue */,
|
|
126
|
+
category: "Residue Property" /* ColorTheme.Category.Residue */,
|
|
127
127
|
factory: ResidueNameColorTheme,
|
|
128
128
|
getParams: getResidueNameColorThemeParams,
|
|
129
129
|
defaultValues: PD.getDefaultValues(ResidueNameColorThemeParams),
|
|
@@ -41,42 +41,42 @@ export function getSecondaryStructureColorThemeParams(ctx) {
|
|
|
41
41
|
return SecondaryStructureColorThemeParams; // TODO return copy
|
|
42
42
|
}
|
|
43
43
|
export function secondaryStructureColor(colorMap, unit, element, computedSecondaryStructure) {
|
|
44
|
-
var secStrucType = SecondaryStructureType.create(0 /* None */);
|
|
44
|
+
var secStrucType = SecondaryStructureType.create(0 /* SecondaryStructureType.Flag.None */);
|
|
45
45
|
if (computedSecondaryStructure && Unit.isAtomic(unit)) {
|
|
46
46
|
var secondaryStructure = computedSecondaryStructure.get(unit.invariantId);
|
|
47
47
|
if (secondaryStructure)
|
|
48
48
|
secStrucType = secondaryStructure.type[secondaryStructure.getIndex(unit.residueIndex[element])];
|
|
49
49
|
}
|
|
50
|
-
if (SecondaryStructureType.is(secStrucType, 2 /* Helix */)) {
|
|
51
|
-
if (SecondaryStructureType.is(secStrucType, 2048 /* Helix3Ten */)) {
|
|
50
|
+
if (SecondaryStructureType.is(secStrucType, 2 /* SecondaryStructureType.Flag.Helix */)) {
|
|
51
|
+
if (SecondaryStructureType.is(secStrucType, 2048 /* SecondaryStructureType.Flag.Helix3Ten */)) {
|
|
52
52
|
return colorMap.threeTenHelix;
|
|
53
53
|
}
|
|
54
|
-
else if (SecondaryStructureType.is(secStrucType, 32768 /* HelixPi */)) {
|
|
54
|
+
else if (SecondaryStructureType.is(secStrucType, 32768 /* SecondaryStructureType.Flag.HelixPi */)) {
|
|
55
55
|
return colorMap.piHelix;
|
|
56
56
|
}
|
|
57
57
|
return colorMap.alphaHelix;
|
|
58
58
|
}
|
|
59
|
-
else if (SecondaryStructureType.is(secStrucType, 4 /* Beta */)) {
|
|
59
|
+
else if (SecondaryStructureType.is(secStrucType, 4 /* SecondaryStructureType.Flag.Beta */)) {
|
|
60
60
|
return colorMap.betaStrand;
|
|
61
61
|
}
|
|
62
|
-
else if (SecondaryStructureType.is(secStrucType, 8 /* Bend */)) {
|
|
62
|
+
else if (SecondaryStructureType.is(secStrucType, 8 /* SecondaryStructureType.Flag.Bend */)) {
|
|
63
63
|
return colorMap.bend;
|
|
64
64
|
}
|
|
65
|
-
else if (SecondaryStructureType.is(secStrucType, 16 /* Turn */)) {
|
|
65
|
+
else if (SecondaryStructureType.is(secStrucType, 16 /* SecondaryStructureType.Flag.Turn */)) {
|
|
66
66
|
return colorMap.turn;
|
|
67
67
|
}
|
|
68
68
|
else {
|
|
69
69
|
var moleculeType = getElementMoleculeType(unit, element);
|
|
70
|
-
if (moleculeType === 7 /* DNA */) {
|
|
70
|
+
if (moleculeType === 7 /* MoleculeType.DNA */) {
|
|
71
71
|
return colorMap.dna;
|
|
72
72
|
}
|
|
73
|
-
else if (moleculeType === 6 /* RNA */) {
|
|
73
|
+
else if (moleculeType === 6 /* MoleculeType.RNA */) {
|
|
74
74
|
return colorMap.rna;
|
|
75
75
|
}
|
|
76
|
-
else if (moleculeType === 9 /* Saccharide */) {
|
|
76
|
+
else if (moleculeType === 9 /* MoleculeType.Saccharide */) {
|
|
77
77
|
return colorMap.carbohydrate;
|
|
78
78
|
}
|
|
79
|
-
else if (moleculeType === 5 /* Protein */) {
|
|
79
|
+
else if (moleculeType === 5 /* MoleculeType.Protein */) {
|
|
80
80
|
return colorMap.coil;
|
|
81
81
|
}
|
|
82
82
|
}
|
|
@@ -111,7 +111,7 @@ export function SecondaryStructureColorTheme(ctx, props) {
|
|
|
111
111
|
export var SecondaryStructureColorThemeProvider = {
|
|
112
112
|
name: 'secondary-structure',
|
|
113
113
|
label: 'Secondary Structure',
|
|
114
|
-
category: "Residue Property" /* Residue */,
|
|
114
|
+
category: "Residue Property" /* ColorTheme.Category.Residue */,
|
|
115
115
|
factory: SecondaryStructureColorTheme,
|
|
116
116
|
getParams: getSecondaryStructureColorThemeParams,
|
|
117
117
|
defaultValues: PD.getDefaultValues(SecondaryStructureColorThemeParams),
|
|
@@ -17,13 +17,13 @@ export function getSequenceIdColorThemeParams(ctx) {
|
|
|
17
17
|
function getSeqId(unit, element) {
|
|
18
18
|
var model = unit.model;
|
|
19
19
|
switch (unit.kind) {
|
|
20
|
-
case 0 /* Atomic */:
|
|
20
|
+
case 0 /* Unit.Kind.Atomic */:
|
|
21
21
|
var residueIndex = model.atomicHierarchy.residueAtomSegments.index[element];
|
|
22
22
|
return model.atomicHierarchy.residues.label_seq_id.value(residueIndex);
|
|
23
|
-
case 1 /* Spheres */:
|
|
23
|
+
case 1 /* Unit.Kind.Spheres */:
|
|
24
24
|
return Math.round((model.coarseHierarchy.spheres.seq_id_begin.value(element) +
|
|
25
25
|
model.coarseHierarchy.spheres.seq_id_end.value(element)) / 2);
|
|
26
|
-
case 2 /* Gaussians */:
|
|
26
|
+
case 2 /* Unit.Kind.Gaussians */:
|
|
27
27
|
return Math.round((model.coarseHierarchy.gaussians.seq_id_begin.value(element) +
|
|
28
28
|
model.coarseHierarchy.gaussians.seq_id_end.value(element)) / 2);
|
|
29
29
|
}
|
|
@@ -32,14 +32,14 @@ function getSequenceLength(unit, element) {
|
|
|
32
32
|
var model = unit.model;
|
|
33
33
|
var entityId = '';
|
|
34
34
|
switch (unit.kind) {
|
|
35
|
-
case 0 /* Atomic */:
|
|
35
|
+
case 0 /* Unit.Kind.Atomic */:
|
|
36
36
|
var chainIndex = model.atomicHierarchy.chainAtomSegments.index[element];
|
|
37
37
|
entityId = model.atomicHierarchy.chains.label_entity_id.value(chainIndex);
|
|
38
38
|
break;
|
|
39
|
-
case 1 /* Spheres */:
|
|
39
|
+
case 1 /* Unit.Kind.Spheres */:
|
|
40
40
|
entityId = model.coarseHierarchy.spheres.entity_id.value(element);
|
|
41
41
|
break;
|
|
42
|
-
case 2 /* Gaussians */:
|
|
42
|
+
case 2 /* Unit.Kind.Gaussians */:
|
|
43
43
|
entityId = model.coarseHierarchy.gaussians.entity_id.value(element);
|
|
44
44
|
break;
|
|
45
45
|
}
|
|
@@ -97,7 +97,7 @@ export function SequenceIdColorTheme(ctx, props) {
|
|
|
97
97
|
export var SequenceIdColorThemeProvider = {
|
|
98
98
|
name: 'sequence-id',
|
|
99
99
|
label: 'Sequence Id',
|
|
100
|
-
category: "Residue Property" /* Residue */,
|
|
100
|
+
category: "Residue Property" /* ColorTheme.Category.Residue */,
|
|
101
101
|
factory: SequenceIdColorTheme,
|
|
102
102
|
getParams: getSequenceIdColorThemeParams,
|
|
103
103
|
defaultValues: PD.getDefaultValues(SequenceIdColorThemeParams),
|
|
@@ -29,7 +29,7 @@ export function ShapeGroupColorTheme(ctx, props) {
|
|
|
29
29
|
export var ShapeGroupColorThemeProvider = {
|
|
30
30
|
name: 'shape-group',
|
|
31
31
|
label: 'Shape Group',
|
|
32
|
-
category: "Miscellaneous" /* Misc */,
|
|
32
|
+
category: "Miscellaneous" /* ColorTheme.Category.Misc */,
|
|
33
33
|
factory: ShapeGroupColorTheme,
|
|
34
34
|
getParams: getShapeGroupColorThemeParams,
|
|
35
35
|
defaultValues: PD.getDefaultValues(ShapeGroupColorThemeParams),
|
|
@@ -55,7 +55,7 @@ export function UncertaintyColorTheme(ctx, props) {
|
|
|
55
55
|
export var UncertaintyColorThemeProvider = {
|
|
56
56
|
name: 'uncertainty',
|
|
57
57
|
label: 'Uncertainty/Disorder',
|
|
58
|
-
category: "Atom Property" /* Atom */,
|
|
58
|
+
category: "Atom Property" /* ColorTheme.Category.Atom */,
|
|
59
59
|
factory: UncertaintyColorTheme,
|
|
60
60
|
getParams: getUncertaintyColorThemeParams,
|
|
61
61
|
defaultValues: PD.getDefaultValues(UncertaintyColorThemeParams),
|
|
@@ -29,7 +29,7 @@ export function UniformColorTheme(ctx, props) {
|
|
|
29
29
|
export var UniformColorThemeProvider = {
|
|
30
30
|
name: 'uniform',
|
|
31
31
|
label: 'Uniform',
|
|
32
|
-
category: "Miscellaneous" /* Misc */,
|
|
32
|
+
category: "Miscellaneous" /* ColorTheme.Category.Misc */,
|
|
33
33
|
factory: UniformColorTheme,
|
|
34
34
|
getParams: getUniformColorThemeParams,
|
|
35
35
|
defaultValues: PD.getDefaultValues(UniformColorThemeParams),
|
|
@@ -59,7 +59,7 @@ export function UnitIndexColorTheme(ctx, props) {
|
|
|
59
59
|
export var UnitIndexColorThemeProvider = {
|
|
60
60
|
name: 'unit-index',
|
|
61
61
|
label: 'Chain Instance',
|
|
62
|
-
category: "Chain Property" /* Chain */,
|
|
62
|
+
category: "Chain Property" /* ColorTheme.Category.Chain */,
|
|
63
63
|
factory: UnitIndexColorTheme,
|
|
64
64
|
getParams: getUnitIndexColorThemeParams,
|
|
65
65
|
defaultValues: PD.getDefaultValues(UnitIndexColorThemeParams),
|
|
@@ -41,7 +41,7 @@ export function VolumeValueColorTheme(ctx, props) {
|
|
|
41
41
|
export var VolumeValueColorThemeProvider = {
|
|
42
42
|
name: 'volume-value',
|
|
43
43
|
label: 'Volume Value',
|
|
44
|
-
category: "Miscellaneous" /* Misc */,
|
|
44
|
+
category: "Miscellaneous" /* ColorTheme.Category.Misc */,
|
|
45
45
|
factory: VolumeValueColorTheme,
|
|
46
46
|
getParams: getVolumeValueColorThemeParams,
|
|
47
47
|
defaultValues: PD.getDefaultValues(VolumeValueColorThemeParams),
|
package/lib/mol-theme/label.js
CHANGED
|
@@ -107,7 +107,7 @@ function _structureElementStatsLabel(stats, countsOnly, hidePrefix, condensed, r
|
|
|
107
107
|
else if (!countsOnly && elementCount === 0 && residueCount === 0 && chainCount === 1) {
|
|
108
108
|
var unit = stats.firstChainLoc.unit;
|
|
109
109
|
var granularity = (Unit.isAtomic(unit) && getResidueCount(unit) === 1)
|
|
110
|
-
? 'residue' : Unit.Traits.is(unit.traits, 1 /* MultiChain */)
|
|
110
|
+
? 'residue' : Unit.Traits.is(unit.traits, 1 /* Unit.Trait.MultiChain */)
|
|
111
111
|
? 'residue' : 'chain';
|
|
112
112
|
return elementLabel(stats.firstChainLoc, { hidePrefix: hidePrefix, condensed: condensed, granularity: granularity, reverse: reverse });
|
|
113
113
|
}
|
|
@@ -250,7 +250,7 @@ function _atomicElementLabel(location, granularity, hideOccupancy) {
|
|
|
250
250
|
var rI = StructureElement.Location.residueIndex(location);
|
|
251
251
|
var label_asym_id = Props.chain.label_asym_id(location);
|
|
252
252
|
var auth_asym_id = Props.chain.auth_asym_id(location);
|
|
253
|
-
var has_label_seq_id = location.unit.model.atomicHierarchy.residues.label_seq_id.valueKind(rI) === 0 /* Present */;
|
|
253
|
+
var has_label_seq_id = location.unit.model.atomicHierarchy.residues.label_seq_id.valueKind(rI) === 0 /* Column.ValueKind.Present */;
|
|
254
254
|
var label_seq_id = Props.residue.label_seq_id(location);
|
|
255
255
|
var auth_seq_id = Props.residue.auth_seq_id(location);
|
|
256
256
|
var ins_code = Props.residue.pdbx_PDB_ins_code(location);
|
|
@@ -277,7 +277,7 @@ function _atomicElementLabel(location, granularity, hideOccupancy) {
|
|
|
277
277
|
label.push("<b>".concat(label_asym_id, "</b>"));
|
|
278
278
|
}
|
|
279
279
|
else {
|
|
280
|
-
if (granularity === 'chain' && Unit.Traits.is(location.unit.traits, 1 /* MultiChain */)) {
|
|
280
|
+
if (granularity === 'chain' && Unit.Traits.is(location.unit.traits, 1 /* Unit.Trait.MultiChain */)) {
|
|
281
281
|
label.push("<small>[auth</small> <b>".concat(auth_asym_id, "</b><small>]</small>"));
|
|
282
282
|
}
|
|
283
283
|
else {
|
package/lib/mol-util/binding.js
CHANGED
|
@@ -78,13 +78,13 @@ function formatButtons(buttons) {
|
|
|
78
78
|
s.push('mouse hover');
|
|
79
79
|
}
|
|
80
80
|
else {
|
|
81
|
-
if (B.has(buttons, 1 /* Primary */))
|
|
81
|
+
if (B.has(buttons, 1 /* B.Flag.Primary */))
|
|
82
82
|
s.push('left mouse button');
|
|
83
|
-
if (B.has(buttons, 2 /* Secondary */))
|
|
83
|
+
if (B.has(buttons, 2 /* B.Flag.Secondary */))
|
|
84
84
|
s.push('right mouse button');
|
|
85
|
-
if (B.has(buttons, 4 /* Auxilary */))
|
|
85
|
+
if (B.has(buttons, 4 /* B.Flag.Auxilary */))
|
|
86
86
|
s.push('wheel/middle mouse button');
|
|
87
|
-
if (B.has(buttons, 8 /* Forth */))
|
|
87
|
+
if (B.has(buttons, 8 /* B.Flag.Forth */))
|
|
88
88
|
s.push('three fingers');
|
|
89
89
|
}
|
|
90
90
|
return s.join(' + ');
|
package/lib/mol-util/debug.d.ts
CHANGED
|
@@ -13,6 +13,11 @@ declare let isProductionMode: boolean;
|
|
|
13
13
|
* mostly used in `mol-gl` and in valence-model calculation
|
|
14
14
|
*/
|
|
15
15
|
declare let isDebugMode: boolean;
|
|
16
|
-
|
|
16
|
+
/**
|
|
17
|
+
* set to true to gather timings, mostly used in `mol-gl`
|
|
18
|
+
*/
|
|
19
|
+
declare let isTimingMode: boolean;
|
|
20
|
+
export { isProductionMode, isDebugMode, isTimingMode };
|
|
17
21
|
export declare function setProductionMode(value?: boolean): void;
|
|
18
22
|
export declare function setDebugMode(value?: boolean): void;
|
|
23
|
+
export declare function setTimingMode(value?: boolean): void;
|
package/lib/mol-util/debug.js
CHANGED
|
@@ -28,7 +28,11 @@ var isDebugMode = function getIsDebug() {
|
|
|
28
28
|
return false;
|
|
29
29
|
}
|
|
30
30
|
}();
|
|
31
|
-
|
|
31
|
+
/**
|
|
32
|
+
* set to true to gather timings, mostly used in `mol-gl`
|
|
33
|
+
*/
|
|
34
|
+
var isTimingMode = false;
|
|
35
|
+
export { isProductionMode, isDebugMode, isTimingMode };
|
|
32
36
|
export function setProductionMode(value) {
|
|
33
37
|
if (typeof value !== 'undefined')
|
|
34
38
|
isProductionMode = value;
|
|
@@ -37,3 +41,7 @@ export function setDebugMode(value) {
|
|
|
37
41
|
if (typeof value !== 'undefined')
|
|
38
42
|
isDebugMode = value;
|
|
39
43
|
}
|
|
44
|
+
export function setTimingMode(value) {
|
|
45
|
+
if (typeof value !== 'undefined')
|
|
46
|
+
isTimingMode = value;
|
|
47
|
+
}
|