molstar 3.8.2 → 3.9.0
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/build/viewer/index.html +4 -1
- package/build/viewer/molstar.js +1 -1
- package/lib/apps/viewer/app.d.ts +1 -1
- package/lib/apps/viewer/app.js +1 -1
- package/lib/apps/viewer/index.html +4 -1
- package/lib/cli/cif2bcif/converter.js +1 -1
- package/lib/commonjs/apps/viewer/app.d.ts +1 -1
- package/lib/commonjs/apps/viewer/app.js +2 -1
- 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/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/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/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.js +106 -106
- 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/context.d.ts +2 -2
- 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/sequence/polymer.js +1 -1
- package/lib/commonjs/mol-plugin-ui/sequence/sequence.js +1 -1
- package/lib/commonjs/mol-plugin-ui/structure/focus.js +1 -1
- package/lib/commonjs/mol-plugin-ui/viewport.d.ts +2 -2
- 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 -12
- package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-line.js +12 -12
- 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-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 +11 -0
- package/lib/examples/alpha-orbitals/index.js +4 -1
- package/lib/examples/basic-wrapper/custom-theme.js +1 -1
- package/lib/examples/proteopedia-wrapper/coloring.js +3 -3
- package/lib/extensions/alpha-orbitals/density.d.ts +1 -1
- package/lib/extensions/alpha-orbitals/density.js +6 -2
- package/lib/extensions/alpha-orbitals/orbitals.d.ts +1 -1
- package/lib/extensions/alpha-orbitals/orbitals.js +6 -3
- package/lib/extensions/anvil/algorithm.js +1 -1
- package/lib/extensions/cellpack/color/generate.js +1 -1
- package/lib/extensions/cellpack/color/provided.js +1 -1
- package/lib/extensions/cellpack/state.js +1 -1
- package/lib/extensions/dnatco/confal-pyramids/color.js +1 -1
- package/lib/extensions/g3d/model.js +1 -1
- package/lib/extensions/model-archive/quality-assessment/color/plddt.js +1 -1
- package/lib/extensions/model-archive/quality-assessment/color/qmean.js +1 -1
- package/lib/extensions/pdbe/structure-quality-report/color.js +1 -1
- package/lib/extensions/rcsb/assembly-symmetry/color.js +4 -4
- package/lib/extensions/rcsb/validation-report/color/density-fit.js +1 -1
- package/lib/extensions/rcsb/validation-report/color/geometry-quality.js +2 -2
- package/lib/extensions/rcsb/validation-report/color/random-coil-index.js +1 -1
- package/lib/extensions/rcsb/validation-report/representation.js +2 -2
- package/lib/mol-canvas3d/canvas3d.js +5 -1
- package/lib/mol-canvas3d/controls/trackball.js +7 -7
- package/lib/mol-canvas3d/helper/camera-helper.js +14 -14
- package/lib/mol-canvas3d/helper/interaction-events.js +5 -5
- package/lib/mol-canvas3d/passes/draw.js +34 -5
- package/lib/mol-canvas3d/passes/fxaa.js +5 -0
- package/lib/mol-canvas3d/passes/marking.js +5 -0
- package/lib/mol-canvas3d/passes/multi-sample.js +9 -0
- package/lib/mol-canvas3d/passes/pick.d.ts +18 -5
- package/lib/mol-canvas3d/passes/pick.js +125 -24
- package/lib/mol-canvas3d/passes/postprocessing.js +5 -0
- package/lib/mol-canvas3d/passes/smaa.js +5 -1
- package/lib/mol-canvas3d/passes/wboit.js +5 -1
- package/lib/mol-data/db/column.js +5 -5
- package/lib/mol-data/db/table.js +2 -2
- package/lib/mol-data/util/array.d.ts +1 -1
- package/lib/mol-geo/geometry/texture-mesh/color-smoothing.js +13 -0
- package/lib/mol-gl/compute/grid3d.d.ts +2 -2
- package/lib/mol-gl/compute/grid3d.js +30 -8
- package/lib/mol-gl/compute/histogram-pyramid/reduction.d.ts +1 -1
- package/lib/mol-gl/compute/histogram-pyramid/reduction.js +6 -1
- package/lib/mol-gl/compute/histogram-pyramid/sum.d.ts +1 -1
- package/lib/mol-gl/compute/histogram-pyramid/sum.js +6 -1
- package/lib/mol-gl/compute/marching-cubes/active-voxels.d.ts +1 -1
- package/lib/mol-gl/compute/marching-cubes/active-voxels.js +6 -1
- package/lib/mol-gl/compute/marching-cubes/isosurface.d.ts +1 -1
- package/lib/mol-gl/compute/marching-cubes/isosurface.js +10 -10
- package/lib/mol-gl/renderer.js +77 -32
- package/lib/mol-gl/scene.js +2 -0
- package/lib/mol-gl/shader/chunks/assign-color-varying.glsl.d.ts +1 -1
- package/lib/mol-gl/shader/chunks/assign-color-varying.glsl.js +1 -1
- package/lib/mol-gl/shader/chunks/assign-material-color.glsl.d.ts +1 -1
- package/lib/mol-gl/shader/chunks/assign-material-color.glsl.js +1 -1
- package/lib/mol-gl/shader/chunks/color-frag-params.glsl.d.ts +1 -1
- package/lib/mol-gl/shader/chunks/color-frag-params.glsl.js +1 -1
- package/lib/mol-gl/shader/chunks/color-vert-params.glsl.d.ts +1 -1
- package/lib/mol-gl/shader/chunks/color-vert-params.glsl.js +1 -1
- package/lib/mol-gl/shader/cylinders.frag.d.ts +1 -1
- package/lib/mol-gl/shader/cylinders.frag.js +1 -1
- package/lib/mol-gl/shader/direct-volume.frag.d.ts +1 -1
- package/lib/mol-gl/shader/direct-volume.frag.js +1 -1
- package/lib/mol-gl/shader/image.frag.d.ts +1 -1
- package/lib/mol-gl/shader/image.frag.js +1 -1
- package/lib/mol-gl/shader/lines.frag.d.ts +1 -1
- package/lib/mol-gl/shader/lines.frag.js +1 -1
- package/lib/mol-gl/shader/mesh.frag.d.ts +1 -1
- package/lib/mol-gl/shader/mesh.frag.js +1 -1
- package/lib/mol-gl/shader/points.frag.d.ts +1 -1
- package/lib/mol-gl/shader/points.frag.js +1 -1
- package/lib/mol-gl/shader/spheres.frag.d.ts +1 -1
- package/lib/mol-gl/shader/spheres.frag.js +1 -1
- package/lib/mol-gl/shader/text.frag.d.ts +1 -1
- package/lib/mol-gl/shader/text.frag.js +1 -1
- package/lib/mol-gl/shader-code.d.ts +1 -1
- package/lib/mol-gl/shader-code.js +41 -9
- package/lib/mol-gl/webgl/compat.d.ts +34 -1
- package/lib/mol-gl/webgl/compat.js +48 -1
- package/lib/mol-gl/webgl/context.d.ts +2 -0
- package/lib/mol-gl/webgl/context.js +3 -0
- package/lib/mol-gl/webgl/extensions.d.ts +3 -2
- package/lib/mol-gl/webgl/extensions.js +7 -2
- package/lib/mol-gl/webgl/timer.d.ts +22 -0
- package/lib/mol-gl/webgl/timer.js +164 -0
- package/lib/mol-io/common/binary-cif/array-encoder.js +18 -18
- package/lib/mol-io/common/binary-cif/decoder.js +16 -16
- package/lib/mol-io/common/binary-cif/encoding.js +9 -9
- package/lib/mol-io/reader/cif/binary/field.js +3 -3
- package/lib/mol-io/reader/cif/data-model.js +14 -14
- package/lib/mol-io/reader/cif/schema.js +1 -1
- package/lib/mol-io/reader/cif/text/parser.js +23 -23
- package/lib/mol-io/reader/common/text/column/fixed.js +1 -1
- package/lib/mol-io/reader/common/text/column/token.js +1 -1
- package/lib/mol-io/reader/common/text/number-parser.js +6 -6
- package/lib/mol-io/reader/csv/parser.js +8 -8
- package/lib/mol-io/writer/cif/encoder/binary.js +10 -10
- package/lib/mol-io/writer/cif/encoder/text.js +7 -7
- package/lib/mol-io/writer/cif/encoder.js +8 -8
- package/lib/mol-io/writer/mol2/encoder.js +4 -4
- package/lib/mol-math/geometry/gaussian-density/gpu.js +13 -2
- package/lib/mol-model/sequence/alignment/sequence.js +3 -3
- package/lib/mol-model/sequence/sequence.js +9 -9
- package/lib/mol-model/structure/export/categories/atom_site_operator_mapping.js +3 -3
- package/lib/mol-model/structure/export/categories/secondary-structure.js +2 -2
- package/lib/mol-model/structure/export/categories/utils.js +1 -1
- package/lib/mol-model/structure/model/model.js +2 -2
- package/lib/mol-model/structure/model/properties/custom/indexed.js +6 -6
- package/lib/mol-model/structure/model/properties/utils/atomic-ranges.js +1 -1
- package/lib/mol-model/structure/model/types.js +116 -116
- package/lib/mol-model/structure/query/context.js +1 -1
- package/lib/mol-model/structure/query/queries/generators.js +5 -5
- package/lib/mol-model/structure/query/queries/internal.js +4 -4
- package/lib/mol-model/structure/query/queries/modifiers.js +4 -4
- package/lib/mol-model/structure/query/utils/structure-distance.d.ts +5 -54
- package/lib/mol-model/structure/query/utils/structure-distance.js +9 -9
- package/lib/mol-model/structure/structure/carbohydrates/constants.js +106 -106
- package/lib/mol-model/structure/structure/element/loci.js +5 -5
- package/lib/mol-model/structure/structure/element/stats.js +5 -5
- package/lib/mol-model/structure/structure/properties.js +5 -5
- package/lib/mol-model/structure/structure/structure.js +11 -11
- package/lib/mol-model/structure/structure/unit/bonds/inter-compute.js +5 -5
- package/lib/mol-model/structure/structure/unit/bonds/intra-compute.js +4 -4
- package/lib/mol-model/structure/structure/unit/bonds.js +2 -2
- package/lib/mol-model/structure/structure/unit/resonance.js +1 -1
- package/lib/mol-model/structure/structure/unit/rings/compute.js +6 -6
- package/lib/mol-model/structure/structure/unit/rings.js +6 -6
- package/lib/mol-model/structure/structure/unit.js +16 -16
- package/lib/mol-model/structure/structure/util/superposition-sifts-mapping.js +1 -1
- package/lib/mol-model/structure/util.js +4 -4
- package/lib/mol-model-formats/structure/basic/atomic.js +2 -2
- package/lib/mol-model-formats/structure/basic/parser.js +4 -4
- package/lib/mol-model-formats/structure/basic/properties.js +1 -1
- package/lib/mol-model-formats/structure/basic/sort.js +1 -1
- package/lib/mol-model-formats/structure/basic/util.js +1 -1
- package/lib/mol-model-formats/structure/cif-core.js +6 -6
- package/lib/mol-model-formats/structure/common/entity.js +1 -1
- package/lib/mol-model-formats/structure/cube.js +1 -1
- package/lib/mol-model-formats/structure/gro.js +1 -1
- package/lib/mol-model-formats/structure/mol.js +1 -1
- package/lib/mol-model-formats/structure/mol2.js +4 -4
- package/lib/mol-model-formats/structure/prmtop.js +1 -1
- package/lib/mol-model-formats/structure/property/bonds/chem_comp.js +3 -3
- package/lib/mol-model-formats/structure/property/bonds/index-pair.js +1 -1
- package/lib/mol-model-formats/structure/property/bonds/struct_conn.js +6 -6
- package/lib/mol-model-formats/structure/property/secondary-structure.js +8 -8
- package/lib/mol-model-formats/structure/psf.js +1 -1
- package/lib/mol-model-formats/structure/top.js +1 -1
- package/lib/mol-model-formats/structure/xyz.js +1 -1
- package/lib/mol-model-props/computed/accessible-surface-area/shrake-rupley/radii.js +2 -2
- package/lib/mol-model-props/computed/accessible-surface-area/shrake-rupley.js +3 -3
- package/lib/mol-model-props/computed/accessible-surface-area.js +2 -2
- package/lib/mol-model-props/computed/chemistry/functional-group.js +31 -31
- package/lib/mol-model-props/computed/chemistry/geometry.js +22 -22
- package/lib/mol-model-props/computed/chemistry/valence-model.js +32 -32
- package/lib/mol-model-props/computed/interactions/charged.js +39 -39
- package/lib/mol-model-props/computed/interactions/common.js +34 -34
- package/lib/mol-model-props/computed/interactions/contacts-builder.js +1 -1
- package/lib/mol-model-props/computed/interactions/contacts.js +1 -1
- package/lib/mol-model-props/computed/interactions/halogen-bonds.js +12 -12
- package/lib/mol-model-props/computed/interactions/hydrogen-bonds.js +32 -32
- package/lib/mol-model-props/computed/interactions/hydrophobic.js +9 -9
- package/lib/mol-model-props/computed/interactions/metal.js +26 -26
- package/lib/mol-model-props/computed/interactions/refine.js +20 -20
- package/lib/mol-model-props/computed/representations/interactions-inter-unit-cylinder.js +2 -2
- package/lib/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js +2 -2
- package/lib/mol-model-props/computed/secondary-structure/dssp/bends.js +1 -1
- package/lib/mol-model-props/computed/secondary-structure/dssp/bridges.js +12 -12
- package/lib/mol-model-props/computed/secondary-structure/dssp/helices.js +6 -6
- package/lib/mol-model-props/computed/secondary-structure/dssp/ladders.js +3 -3
- package/lib/mol-model-props/computed/secondary-structure/dssp/sheets.js +11 -11
- package/lib/mol-model-props/computed/secondary-structure/dssp/turns.js +3 -3
- package/lib/mol-model-props/computed/secondary-structure/dssp.js +30 -30
- package/lib/mol-model-props/computed/themes/accessible-surface-area.js +1 -1
- package/lib/mol-model-props/computed/themes/interaction-type.js +10 -10
- package/lib/mol-model-props/integrative/cross-link-restraint/color.js +1 -1
- package/lib/mol-model-props/integrative/cross-link-restraint/format.js +3 -3
- package/lib/mol-model-props/sequence/sifts-mapping.js +1 -1
- package/lib/mol-model-props/sequence/themes/sifts-mapping.js +1 -1
- package/lib/mol-plugin/animation-loop.d.ts +2 -1
- package/lib/mol-plugin/animation-loop.js +18 -5
- package/lib/mol-plugin/behavior/dynamic/camera.js +12 -12
- package/lib/mol-plugin/behavior/dynamic/representation.js +7 -7
- package/lib/mol-plugin/context.d.ts +2 -2
- package/lib/mol-plugin/state.d.ts +1 -14
- package/lib/mol-plugin/version.js +2 -2
- package/lib/mol-plugin-state/formats/volume.d.ts +12 -11
- package/lib/mol-plugin-state/formats/volume.js +20 -13
- package/lib/mol-plugin-state/helpers/structure-selection-query.js +5 -5
- package/lib/mol-plugin-state/transforms/representation.js +2 -2
- package/lib/mol-plugin-ui/controls/parameters.d.ts +1 -1
- package/lib/mol-plugin-ui/sequence/polymer.js +1 -1
- package/lib/mol-plugin-ui/sequence/sequence.js +1 -1
- package/lib/mol-plugin-ui/structure/focus.js +1 -1
- package/lib/mol-plugin-ui/viewport.d.ts +2 -2
- package/lib/mol-repr/structure/visual/bond-inter-unit-cylinder.js +10 -10
- package/lib/mol-repr/structure/visual/bond-inter-unit-line.js +10 -10
- package/lib/mol-repr/structure/visual/bond-intra-unit-cylinder.js +12 -12
- package/lib/mol-repr/structure/visual/bond-intra-unit-line.js +12 -12
- package/lib/mol-repr/structure/visual/carbohydrate-symbol-mesh.js +16 -16
- package/lib/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.js +1 -1
- package/lib/mol-repr/structure/visual/gaussian-surface-mesh.js +9 -0
- package/lib/mol-repr/structure/visual/orientation-ellipsoid-mesh.js +4 -4
- package/lib/mol-repr/structure/visual/polymer-direction-wedge.js +1 -1
- package/lib/mol-repr/structure/visual/polymer-trace-mesh.js +2 -2
- package/lib/mol-repr/structure/visual/util/bond.js +2 -2
- package/lib/mol-repr/structure/visual/util/common.js +3 -3
- package/lib/mol-repr/structure/visual/util/link.js +30 -30
- package/lib/mol-repr/structure/visual/util/polymer/backbone.js +6 -6
- package/lib/mol-repr/structure/visual/util/polymer/gap-iterator.js +3 -3
- package/lib/mol-repr/structure/visual/util/polymer/trace-iterator.js +20 -20
- package/lib/mol-repr/structure/visual/util/polymer.js +6 -6
- package/lib/mol-script/language/symbol-table/core.d.ts +2 -2
- package/lib/mol-script/runtime/query/table.js +13 -13
- package/lib/mol-state/object.d.ts +3 -3
- package/lib/mol-task/util/user-timing.js +1 -1
- package/lib/mol-theme/clipping.js +19 -19
- package/lib/mol-theme/color/atom-id.js +1 -1
- package/lib/mol-theme/color/carbohydrate-symbol.js +1 -1
- package/lib/mol-theme/color/chain-id.js +4 -4
- package/lib/mol-theme/color/element-index.js +1 -1
- package/lib/mol-theme/color/element-symbol.js +1 -1
- package/lib/mol-theme/color/entity-id.js +4 -4
- package/lib/mol-theme/color/entity-source.js +5 -4
- package/lib/mol-theme/color/hydrophobicity.js +1 -1
- package/lib/mol-theme/color/illustrative.js +1 -1
- package/lib/mol-theme/color/model-index.js +1 -1
- package/lib/mol-theme/color/molecule-type.js +8 -8
- package/lib/mol-theme/color/occupancy.js +1 -1
- package/lib/mol-theme/color/operator-hkl.js +1 -1
- package/lib/mol-theme/color/operator-name.js +1 -1
- package/lib/mol-theme/color/partial-charge.js +1 -1
- package/lib/mol-theme/color/polymer-id.js +4 -4
- package/lib/mol-theme/color/polymer-index.js +1 -1
- package/lib/mol-theme/color/residue-name.js +1 -1
- package/lib/mol-theme/color/secondary-structure.js +12 -12
- package/lib/mol-theme/color/sequence-id.js +7 -7
- package/lib/mol-theme/color/shape-group.js +1 -1
- package/lib/mol-theme/color/uncertainty.js +1 -1
- package/lib/mol-theme/color/uniform.js +1 -1
- package/lib/mol-theme/color/unit-index.js +1 -1
- package/lib/mol-theme/color/volume-value.js +1 -1
- package/lib/mol-theme/label.js +3 -3
- package/lib/mol-util/binding.js +4 -4
- package/lib/mol-util/debug.d.ts +6 -1
- package/lib/mol-util/debug.js +9 -1
- package/lib/mol-util/input/input-observer.js +20 -20
- package/lib/mol-util/string-builder.js +1 -1
- package/lib/servers/model/preprocess/converter.js +1 -1
- package/lib/servers/model/server/query.js +1 -1
- package/lib/servers/model/utils/fetch-retry.js +3 -2
- package/lib/servers/volume/server/algebra/coordinate.js +6 -6
- package/lib/servers/volume/server/query/encode.js +1 -1
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import { isProductionMode } from '../../mol-util/debug';
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7
|
-
var hasPerformance = (typeof performance !== 'undefined') && performance.mark && performance.measure;
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+
var hasPerformance = (typeof performance !== 'undefined') && !!performance.mark && performance.measure;
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var timingEnabled = hasPerformance && !isProductionMode;
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export var UserTiming;
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(function (UserTiming) {
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@@ -21,12 +21,12 @@ function Clipping(layers) {
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}
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Groups.create = create;
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Groups.Names = {
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'one': 1 /* One */,
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'two': 2 /* Two */,
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'three': 4 /* Three */,
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'four': 8 /* Four */,
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'five': 16 /* Five */,
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'six': 32 /* Six */,
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+
'one': 1 /* Flag.One */,
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+
'two': 2 /* Flag.Two */,
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'three': 4 /* Flag.Three */,
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'four': 8 /* Flag.Four */,
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'five': 16 /* Flag.Five */,
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'six': 32 /* Flag.Six */,
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};
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function isName(name) {
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return name in Groups.Names;
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@@ -34,17 +34,17 @@ function Clipping(layers) {
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Groups.isName = isName;
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function fromName(name) {
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switch (name) {
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case 'one': return 1 /* One */;
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case 'two': return 2 /* Two */;
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-
case 'three': return 4 /* Three */;
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-
case 'four': return 8 /* Four */;
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case 'five': return 16 /* Five */;
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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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|
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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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|
}
|
|
@@ -70,7 +70,7 @@ export function AtomIdColorTheme(ctx, props) {
|
|
|
70
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|
export var AtomIdColorThemeProvider = {
|
|
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name: 'atom-id',
|
|
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|
label: 'Atom Id',
|
|
73
|
-
category: "Atom Property" /* Atom */,
|
|
73
|
+
category: "Atom Property" /* ColorTheme.Category.Atom */,
|
|
74
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|
factory: AtomIdColorTheme,
|
|
75
75
|
getParams: getAtomIdColorThemeParams,
|
|
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|
defaultValues: PD.getDefaultValues(AtomIdColorThemeParams),
|
|
@@ -54,7 +54,7 @@ export function CarbohydrateSymbolColorTheme(ctx, props) {
|
|
|
54
54
|
export var CarbohydrateSymbolColorThemeProvider = {
|
|
55
55
|
name: 'carbohydrate-symbol',
|
|
56
56
|
label: 'Carbohydrate Symbol',
|
|
57
|
-
category: "Residue Property" /* Residue */,
|
|
57
|
+
category: "Residue Property" /* ColorTheme.Category.Residue */,
|
|
58
58
|
factory: CarbohydrateSymbolColorTheme,
|
|
59
59
|
getParams: getCarbohydrateSymbolColorThemeParams,
|
|
60
60
|
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
28
|
: 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 */:
|
|
31
31
|
return StructureProperties.coarse.asym_id;
|
|
32
32
|
}
|
|
33
33
|
}
|
|
@@ -104,7 +104,7 @@ export function ChainIdColorTheme(ctx, props) {
|
|
|
104
104
|
export var ChainIdColorThemeProvider = {
|
|
105
105
|
name: 'chain-id',
|
|
106
106
|
label: 'Chain Id',
|
|
107
|
-
category: "Chain Property" /* Chain */,
|
|
107
|
+
category: "Chain Property" /* ColorTheme.Category.Chain */,
|
|
108
108
|
factory: ChainIdColorTheme,
|
|
109
109
|
getParams: getChainIdColorThemeParams,
|
|
110
110
|
defaultValues: PD.getDefaultValues(ChainIdColorThemeParams),
|
|
@@ -61,7 +61,7 @@ export function ElementIndexColorTheme(ctx, props) {
|
|
|
61
61
|
export var ElementIndexColorThemeProvider = {
|
|
62
62
|
name: 'element-index',
|
|
63
63
|
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 */,
|
|
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factory: PolymerIdColorTheme,
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|
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getParams: getPolymerIdColorThemeParams,
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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 */,
|
|
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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',
|
|
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125
|
label: 'Residue Name',
|
|
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|
-
category: "Residue Property" /* Residue */,
|
|
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|
+
category: "Residue Property" /* ColorTheme.Category.Residue */,
|
|
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|
factory: ResidueNameColorTheme,
|
|
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getParams: getResidueNameColorThemeParams,
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|
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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 */)) {
|
|
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|
return colorMap.threeTenHelix;
|
|
53
53
|
}
|
|
54
|
-
else if (SecondaryStructureType.is(secStrucType, 32768 /* HelixPi */)) {
|
|
54
|
+
else if (SecondaryStructureType.is(secStrucType, 32768 /* SecondaryStructureType.Flag.HelixPi */)) {
|
|
55
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|
return colorMap.piHelix;
|
|
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|
}
|
|
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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(' + ');
|