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
- package/package.json +8 -8
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else if (linkStyle === 1 /* LinkStyle.Dashed */) {
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v3scale(tmpV12, v3sub(tmpV12, vb, va), lengthScale);
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v3sub(vb, vb, tmpV12);
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builder.addFixedCountDashes(va, vb, segmentCount, dashScale, dashCap, dashCap, edgeIndex);
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}
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else if (linkStyle === 2 /* Double */ || linkStyle === 3 /* OffsetDouble */ || linkStyle === 4 /* Triple */ || linkStyle === 5 /* OffsetTriple */ || linkStyle === 7 /* Aromatic */ || linkStyle === 8 /* MirroredAromatic */) {
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(linkStyle === 4 /* Triple */ || linkStyle === 5 /* OffsetTriple */) ? 3 : 1.5;
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+
else if (linkStyle === 2 /* LinkStyle.Double */ || linkStyle === 3 /* LinkStyle.OffsetDouble */ || linkStyle === 4 /* LinkStyle.Triple */ || linkStyle === 5 /* LinkStyle.OffsetTriple */ || linkStyle === 7 /* LinkStyle.Aromatic */ || linkStyle === 8 /* LinkStyle.MirroredAromatic */) {
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var order = (linkStyle === 2 /* LinkStyle.Double */ || linkStyle === 3 /* LinkStyle.OffsetDouble */) ? 2 :
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(linkStyle === 4 /* LinkStyle.Triple */ || linkStyle === 5 /* LinkStyle.OffsetTriple */) ? 3 : 1.5;
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v3scale(vm, v3add(vm, va, vb), 0.5);
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calculateShiftDir(vShift, va, vb, referencePosition ? referencePosition(edgeIndex) : null);
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if (linkStyle === 7 /* Aromatic */ || linkStyle === 8 /* MirroredAromatic */) {
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if (linkStyle === 7 /* LinkStyle.Aromatic */ || linkStyle === 8 /* LinkStyle.MirroredAromatic */) {
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builder.add(va[0], va[1], va[2], vm[0], vm[1], vm[2], 1, linkCap, linkStub, edgeIndex);
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v3scale(tmpV12, v3sub(tmpV12, vb, va), aromaticLengthScale);
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@@ -264,14 +264,14 @@ function createLinkCylinderImpostors(ctx, linkBuilder, props, cylinders) {
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v3sub(va, va, vShift);
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v3sub(vb, vb, vShift);
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builder.addFixedCountDashes(va, vb, aromaticSegmentCount, aromaticScale, dashCap, dashCap, edgeIndex);
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if (linkStyle === 8 /* MirroredAromatic */) {
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v3setMagnitude(vShift, vShift, aromaticOffset * 2);
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v3add(va, va, vShift);
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v3add(vb, vb, vShift);
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builder.addFixedCountDashes(va, vb, aromaticSegmentCount, aromaticScale, dashCap, dashCap, edgeIndex);
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}
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else if (linkStyle === 3 /* OffsetDouble */ || linkStyle === 5 /* OffsetTriple */) {
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else if (linkStyle === 3 /* LinkStyle.OffsetDouble */ || linkStyle === 5 /* LinkStyle.OffsetTriple */) {
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var multipleOffset = linkRadius + multiScale * linkRadius + linkScale * linkRadius * linkSpacing;
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v3setMagnitude(vShift, vShift, multipleOffset);
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builder.add(va[0], va[1], va[2], vm[0], vm[1], vm[2], 1, linkCap, linkStub, edgeIndex);
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@@ -289,7 +289,7 @@ function createLinkCylinderImpostors(ctx, linkBuilder, props, cylinders) {
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builder.add(va[0] - vShift[0], va[1] - vShift[1], va[2] - vShift[2], vm[0] - vShift[0], vm[1] - vShift[1], vm[2] - vShift[2], multiScale, linkCap, linkStub, edgeIndex);
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}
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}
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else if (linkStyle === 6 /* Disk */) {
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+
else if (linkStyle === 6 /* LinkStyle.Disk */) {
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v3scale(tmpV12, v3sub(tmpV12, vb, va), 0.475);
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v3add(va, va, tmpV12);
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v3sub(vb, vb, tmpV12);
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@@ -341,24 +341,24 @@ function createLinkLines(ctx, linkBuilder, props, lines) {
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v3add(center, center, va);
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v3add(center, center, vb);
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count += 2;
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var linkStyle = style ? style(edgeIndex) : 0 /* Solid */;
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if (linkStyle === 0 /* Solid */) {
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var linkStyle = style ? style(edgeIndex) : 0 /* LinkStyle.Solid */;
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if (linkStyle === 0 /* LinkStyle.Solid */) {
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v3scale(vm, v3add(vm, va, vb), 0.5);
|
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builder.add(va[0], va[1], va[2], vm[0], vm[1], vm[2], edgeIndex);
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}
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else if (linkStyle === 1 /* Dashed */) {
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+
else if (linkStyle === 1 /* LinkStyle.Dashed */) {
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v3scale(tmpV12, v3sub(tmpV12, vb, va), lengthScale);
|
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v3sub(vb, vb, tmpV12);
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builder.addFixedCountDashes(va, vb, segmentCount, edgeIndex);
|
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}
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-
else if (linkStyle === 2 /* Double */ || linkStyle === 3 /* OffsetDouble */ || linkStyle === 4 /* Triple */ || linkStyle === 5 /* OffsetTriple */ || linkStyle === 7 /* Aromatic */ || linkStyle === 8 /* MirroredAromatic */) {
|
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355
|
-
var order = linkStyle === 2 /* Double */ || linkStyle === 3 /* OffsetDouble */ ? 2 :
|
|
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|
-
linkStyle === 4 /* Triple */ || linkStyle === 5 /* OffsetTriple */ ? 3 : 1.5;
|
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|
+
else if (linkStyle === 2 /* LinkStyle.Double */ || linkStyle === 3 /* LinkStyle.OffsetDouble */ || linkStyle === 4 /* LinkStyle.Triple */ || linkStyle === 5 /* LinkStyle.OffsetTriple */ || linkStyle === 7 /* LinkStyle.Aromatic */ || linkStyle === 8 /* LinkStyle.MirroredAromatic */) {
|
|
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|
+
var order = linkStyle === 2 /* LinkStyle.Double */ || linkStyle === 3 /* LinkStyle.OffsetDouble */ ? 2 :
|
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+
linkStyle === 4 /* LinkStyle.Triple */ || linkStyle === 5 /* LinkStyle.OffsetTriple */ ? 3 : 1.5;
|
|
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|
var multiRadius = 1 * (linkScale / (0.5 * order));
|
|
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|
var absOffset = (1 - multiRadius) * linkSpacing;
|
|
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|
v3scale(vm, v3add(vm, va, vb), 0.5);
|
|
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|
calculateShiftDir(vShift, va, vb, referencePosition ? referencePosition(edgeIndex) : null);
|
|
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|
-
if (linkStyle === 7 /* Aromatic */ || linkStyle === 8 /* MirroredAromatic */) {
|
|
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|
+
if (linkStyle === 7 /* LinkStyle.Aromatic */ || linkStyle === 8 /* LinkStyle.MirroredAromatic */) {
|
|
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|
builder.add(va[0], va[1], va[2], vm[0], vm[1], vm[2], edgeIndex);
|
|
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|
v3scale(tmpV12, v3sub(tmpV12, vb, va), aromaticLengthScale);
|
|
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|
v3sub(vb, vb, tmpV12);
|
|
@@ -366,14 +366,14 @@ function createLinkLines(ctx, linkBuilder, props, lines) {
|
|
|
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|
v3sub(va, va, vShift);
|
|
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|
v3sub(vb, vb, vShift);
|
|
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|
builder.addFixedCountDashes(va, vb, aromaticSegmentCount, edgeIndex);
|
|
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|
-
if (linkStyle === 8 /* MirroredAromatic */) {
|
|
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|
+
if (linkStyle === 8 /* LinkStyle.MirroredAromatic */) {
|
|
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|
v3setMagnitude(vShift, vShift, absOffset * aromaticOffsetFactor * 2);
|
|
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|
v3add(va, va, vShift);
|
|
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|
v3add(vb, vb, vShift);
|
|
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|
builder.addFixedCountDashes(va, vb, aromaticSegmentCount, edgeIndex);
|
|
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|
}
|
|
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|
}
|
|
376
|
-
else if (linkStyle === 3 /* OffsetDouble */ || linkStyle === 5 /* OffsetTriple */) {
|
|
376
|
+
else if (linkStyle === 3 /* LinkStyle.OffsetDouble */ || linkStyle === 5 /* LinkStyle.OffsetTriple */) {
|
|
377
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|
v3setMagnitude(vShift, vShift, absOffset * multipleOffsetFactor);
|
|
378
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|
builder.add(va[0], va[1], va[2], vm[0], vm[1], vm[2], edgeIndex);
|
|
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|
v3scale(tmpV12, v3sub(tmpV12, va, vb), linkSpacing * linkScale);
|
|
@@ -390,7 +390,7 @@ function createLinkLines(ctx, linkBuilder, props, lines) {
|
|
|
390
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|
builder.add(va[0] - vShift[0], va[1] - vShift[1], va[2] - vShift[2], vm[0] - vShift[0], vm[1] - vShift[1], vm[2] - vShift[2], edgeIndex);
|
|
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|
}
|
|
392
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|
}
|
|
393
|
-
else if (linkStyle === 6 /* Disk */) {
|
|
393
|
+
else if (linkStyle === 6 /* LinkStyle.Disk */) {
|
|
394
394
|
v3scale(tmpV12, v3sub(tmpV12, vb, va), 0.475);
|
|
395
395
|
v3add(va, va, tmpV12);
|
|
396
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|
v3sub(vb, vb, tmpV12);
|
|
@@ -11,9 +11,9 @@ var sorted_ranges_1 = require("../../../../../mol-data/int/sorted-ranges");
|
|
|
11
11
|
var polymer_1 = require("../polymer");
|
|
12
12
|
function eachPolymerBackboneLink(unit, callback) {
|
|
13
13
|
switch (unit.kind) {
|
|
14
|
-
case 0 /* Atomic */: return eachAtomicPolymerBackboneLink(unit, callback);
|
|
15
|
-
case 1 /* Spheres */:
|
|
16
|
-
case 2 /* Gaussians */:
|
|
14
|
+
case 0 /* Unit.Kind.Atomic */: return eachAtomicPolymerBackboneLink(unit, callback);
|
|
15
|
+
case 1 /* Unit.Kind.Spheres */:
|
|
16
|
+
case 2 /* Unit.Kind.Gaussians */:
|
|
17
17
|
return eachCoarsePolymerBackboneLink(unit, callback);
|
|
18
18
|
}
|
|
19
19
|
}
|
|
@@ -78,9 +78,9 @@ function eachCoarsePolymerBackboneLink(unit, callback) {
|
|
|
78
78
|
}
|
|
79
79
|
function eachPolymerBackboneElement(unit, callback) {
|
|
80
80
|
switch (unit.kind) {
|
|
81
|
-
case 0 /* Atomic */: return eachAtomicPolymerBackboneElement(unit, callback);
|
|
82
|
-
case 1 /* Spheres */:
|
|
83
|
-
case 2 /* Gaussians */:
|
|
81
|
+
case 0 /* Unit.Kind.Atomic */: return eachAtomicPolymerBackboneElement(unit, callback);
|
|
82
|
+
case 1 /* Unit.Kind.Spheres */:
|
|
83
|
+
case 2 /* Unit.Kind.Gaussians */:
|
|
84
84
|
return eachCoarsePolymerBackboneElement(unit, callback);
|
|
85
85
|
}
|
|
86
86
|
}
|
|
@@ -12,9 +12,9 @@ var polymer_1 = require("../polymer");
|
|
|
12
12
|
/** Iterates over gaps, i.e. the stem residues/coarse elements adjacent to gaps */
|
|
13
13
|
function PolymerGapIterator(structure, unit) {
|
|
14
14
|
switch (unit.kind) {
|
|
15
|
-
case 0 /* Atomic */: return new AtomicPolymerGapIterator(structure, unit);
|
|
16
|
-
case 1 /* Spheres */:
|
|
17
|
-
case 2 /* Gaussians */:
|
|
15
|
+
case 0 /* Unit.Kind.Atomic */: return new AtomicPolymerGapIterator(structure, unit);
|
|
16
|
+
case 1 /* Unit.Kind.Spheres */:
|
|
17
|
+
case 2 /* Unit.Kind.Gaussians */:
|
|
18
18
|
return new CoarsePolymerGapIterator(structure, unit);
|
|
19
19
|
}
|
|
20
20
|
}
|
|
@@ -15,10 +15,10 @@ var polymer_1 = require("../polymer");
|
|
|
15
15
|
var secondary_structure_1 = require("../../../../../mol-model-props/computed/secondary-structure");
|
|
16
16
|
var helix_orientation_1 = require("../../../../../mol-model-props/computed/helix-orientation");
|
|
17
17
|
function isHelixSS(ss) {
|
|
18
|
-
return types_1.SecondaryStructureType.is(ss, 2 /* Helix */);
|
|
18
|
+
return types_1.SecondaryStructureType.is(ss, 2 /* SecondaryStructureType.Flag.Helix */);
|
|
19
19
|
}
|
|
20
20
|
function isSheetSS(ss) {
|
|
21
|
-
return types_1.SecondaryStructureType.is(ss, 4 /* Beta */);
|
|
21
|
+
return types_1.SecondaryStructureType.is(ss, 4 /* SecondaryStructureType.Flag.Beta */);
|
|
22
22
|
}
|
|
23
23
|
/**
|
|
24
24
|
* Iterates over individual residues/coarse elements in polymers of a unit while
|
|
@@ -27,14 +27,14 @@ function isSheetSS(ss) {
|
|
|
27
27
|
function PolymerTraceIterator(unit, structure, options) {
|
|
28
28
|
if (options === void 0) { options = {}; }
|
|
29
29
|
switch (unit.kind) {
|
|
30
|
-
case 0 /* Atomic */: return new AtomicPolymerTraceIterator(unit, structure, options);
|
|
31
|
-
case 1 /* Spheres */:
|
|
32
|
-
case 2 /* Gaussians */:
|
|
30
|
+
case 0 /* Unit.Kind.Atomic */: return new AtomicPolymerTraceIterator(unit, structure, options);
|
|
31
|
+
case 1 /* Unit.Kind.Spheres */:
|
|
32
|
+
case 2 /* Unit.Kind.Gaussians */:
|
|
33
33
|
return new CoarsePolymerTraceIterator(unit, structure);
|
|
34
34
|
}
|
|
35
35
|
}
|
|
36
36
|
exports.PolymerTraceIterator = PolymerTraceIterator;
|
|
37
|
-
var SecStrucTypeNA = types_1.SecondaryStructureType.create(536870912 /* NA */);
|
|
37
|
+
var SecStrucTypeNA = types_1.SecondaryStructureType.create(536870912 /* SecondaryStructureType.Flag.NA */);
|
|
38
38
|
function createPolymerTraceElement(structure, unit) {
|
|
39
39
|
return {
|
|
40
40
|
center: structure_1.StructureElement.Location.create(structure, unit),
|
|
@@ -44,7 +44,7 @@ function createPolymerTraceElement(structure, unit) {
|
|
|
44
44
|
initial: false, final: false,
|
|
45
45
|
secStrucFirst: false, secStrucLast: false,
|
|
46
46
|
secStrucType: SecStrucTypeNA,
|
|
47
|
-
moleculeType: 0 /* Unknown */,
|
|
47
|
+
moleculeType: 0 /* MoleculeType.Unknown */,
|
|
48
48
|
coarseBackboneFirst: false, coarseBackboneLast: false,
|
|
49
49
|
isCoarseBackbone: false,
|
|
50
50
|
p0: (0, linear_algebra_1.Vec3)(), p1: (0, linear_algebra_1.Vec3)(), p2: (0, linear_algebra_1.Vec3)(), p3: (0, linear_algebra_1.Vec3)(), p4: (0, linear_algebra_1.Vec3)(),
|
|
@@ -59,7 +59,7 @@ var AtomicPolymerTraceIterator = /** @class */ (function () {
|
|
|
59
59
|
if (options === void 0) { options = {}; }
|
|
60
60
|
var _a;
|
|
61
61
|
this.unit = unit;
|
|
62
|
-
this.state = 0 /* nextPolymer */;
|
|
62
|
+
this.state = 0 /* AtomicPolymerTraceIteratorState.nextPolymer */;
|
|
63
63
|
this.p0 = (0, linear_algebra_1.Vec3)();
|
|
64
64
|
this.p1 = (0, linear_algebra_1.Vec3)();
|
|
65
65
|
this.p2 = (0, linear_algebra_1.Vec3)();
|
|
@@ -141,7 +141,7 @@ var AtomicPolymerTraceIterator = /** @class */ (function () {
|
|
|
141
141
|
var _a = this.secondaryStructure, type = _a.type, getIndex = _a.getIndex;
|
|
142
142
|
var ss = type[getIndex(residueIndex)];
|
|
143
143
|
// normalize helix-type
|
|
144
|
-
return isHelixSS(ss) ? 2 /* Helix */ : ss;
|
|
144
|
+
return isHelixSS(ss) ? 2 /* SecondaryStructureType.Flag.Helix */ : ss;
|
|
145
145
|
}
|
|
146
146
|
else {
|
|
147
147
|
return SecStrucTypeNA;
|
|
@@ -172,13 +172,13 @@ var AtomicPolymerTraceIterator = /** @class */ (function () {
|
|
|
172
172
|
};
|
|
173
173
|
AtomicPolymerTraceIterator.prototype.move = function () {
|
|
174
174
|
var _a = this, residueIt = _a.residueIt, polymerIt = _a.polymerIt, value = _a.value;
|
|
175
|
-
if (this.state === 0 /* nextPolymer */) {
|
|
175
|
+
if (this.state === 0 /* AtomicPolymerTraceIteratorState.nextPolymer */) {
|
|
176
176
|
while (polymerIt.hasNext) {
|
|
177
177
|
this.polymerSegment = polymerIt.move();
|
|
178
178
|
residueIt.setSegment(this.polymerSegment);
|
|
179
179
|
this.updateResidueSegmentRange(this.polymerSegment);
|
|
180
180
|
if (residueIt.hasNext) {
|
|
181
|
-
this.state = 1 /* nextResidue */;
|
|
181
|
+
this.state = 1 /* AtomicPolymerTraceIteratorState.nextResidue */;
|
|
182
182
|
var residueIndexBeg = this.residueAtomSegments.index[this.unit.elements[this.polymerSegment.start]];
|
|
183
183
|
var residueIndexBegPrev = this.getResidueIndex(residueIndexBeg - 1);
|
|
184
184
|
this.currSecStrucType = residueIndexBeg === residueIndexBegPrev ? SecStrucTypeNA : this.getSecStruc(residueIndexBegPrev);
|
|
@@ -189,7 +189,7 @@ var AtomicPolymerTraceIterator = /** @class */ (function () {
|
|
|
189
189
|
}
|
|
190
190
|
}
|
|
191
191
|
}
|
|
192
|
-
if (this.state === 1 /* nextResidue */) {
|
|
192
|
+
if (this.state === 1 /* AtomicPolymerTraceIteratorState.nextResidue */) {
|
|
193
193
|
var residueIndex = residueIt.move().index;
|
|
194
194
|
var residueIndexPrev3 = this.getResidueIndex(residueIndex - 3);
|
|
195
195
|
var residueIndexPrev2 = this.getResidueIndex(residueIndex - 2);
|
|
@@ -352,7 +352,7 @@ var AtomicPolymerTraceIterator = /** @class */ (function () {
|
|
|
352
352
|
this.setDirection(value.d12, this.d01, this.d12, this.d23);
|
|
353
353
|
this.setDirection(value.d23, this.d12, this.d23, this.d34);
|
|
354
354
|
if (!residueIt.hasNext) {
|
|
355
|
-
this.state = 0 /* nextPolymer */;
|
|
355
|
+
this.state = 0 /* AtomicPolymerTraceIteratorState.nextPolymer */;
|
|
356
356
|
}
|
|
357
357
|
}
|
|
358
358
|
this.hasNext = residueIt.hasNext || polymerIt.hasNext;
|
|
@@ -364,17 +364,17 @@ exports.AtomicPolymerTraceIterator = AtomicPolymerTraceIterator;
|
|
|
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var CoarsePolymerTraceIterator = /** @class */ (function () {
|
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function CoarsePolymerTraceIterator(unit, structure) {
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|
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this.state = 0 /* nextPolymer */;
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this.state = 0 /* CoarsePolymerTraceIteratorState.nextPolymer */;
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this.hasNext = false;
|
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this.polymerIt = sorted_ranges_1.SortedRanges.transientSegments((0, polymer_1.getPolymerRanges)(unit), unit.elements);
|
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|
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linear_algebra_1.Vec3.set(this.value.d12, 1, 0, 0);
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linear_algebra_1.Vec3.set(this.value.d23, 1, 0, 0);
|
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switch (unit.kind) {
|
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|
-
case 1 /* Spheres */:
|
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|
+
case 1 /* Unit.Kind.Spheres */:
|
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375
|
this.conformation = unit.model.coarseConformation.spheres;
|
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|
break;
|
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|
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case 2 /* Gaussians */:
|
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|
+
case 2 /* Unit.Kind.Gaussians */:
|
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|
this.conformation = unit.model.coarseConformation.gaussians;
|
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|
break;
|
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|
}
|
|
@@ -390,17 +390,17 @@ var CoarsePolymerTraceIterator = /** @class */ (function () {
|
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target[2] = this.conformation.z[index];
|
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};
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CoarsePolymerTraceIterator.prototype.move = function () {
|
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|
-
if (this.state === 0 /* nextPolymer */) {
|
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|
+
if (this.state === 0 /* CoarsePolymerTraceIteratorState.nextPolymer */) {
|
|
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|
while (this.polymerIt.hasNext) {
|
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|
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|
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|
|
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397
|
if (this.elementIndex < this.polymerSegment.end) {
|
|
398
|
-
this.state = 1 /* nextElement */;
|
|
398
|
+
this.state = 1 /* CoarsePolymerTraceIteratorState.nextElement */;
|
|
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399
|
break;
|
|
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|
}
|
|
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|
}
|
|
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|
}
|
|
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|
-
if (this.state === 1 /* nextElement */) {
|
|
403
|
+
if (this.state === 1 /* CoarsePolymerTraceIteratorState.nextElement */) {
|
|
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404
|
var elementIndexPrev2 = this.getElementIndex(this.elementIndex - 2);
|
|
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405
|
var elementIndexPrev1 = this.getElementIndex(this.elementIndex - 1);
|
|
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|
var elementIndexNext1 = this.getElementIndex(this.elementIndex + 1);
|
|
@@ -436,7 +436,7 @@ var CoarsePolymerTraceIterator = /** @class */ (function () {
|
|
|
436
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|
this.value.first = this.elementIndex === this.polymerSegment.start;
|
|
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|
this.value.last = this.elementIndex === this.polymerSegment.end - 1;
|
|
438
438
|
if (this.elementIndex + 1 >= this.polymerSegment.end) {
|
|
439
|
-
this.state = 0 /* nextPolymer */;
|
|
439
|
+
this.state = 0 /* CoarsePolymerTraceIteratorState.nextPolymer */;
|
|
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440
|
}
|
|
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|
}
|
|
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|
this.hasNext = this.elementIndex + 1 < this.polymerSegment.end || this.polymerIt.hasNext;
|
|
@@ -24,17 +24,17 @@ exports.NucleicShift = 0.3;
|
|
|
24
24
|
exports.OverhangFactor = 2;
|
|
25
25
|
function getPolymerRanges(unit) {
|
|
26
26
|
switch (unit.kind) {
|
|
27
|
-
case 0 /* Atomic */: return unit.model.atomicRanges.polymerRanges;
|
|
28
|
-
case 1 /* Spheres */: return unit.model.coarseHierarchy.spheres.polymerRanges;
|
|
29
|
-
case 2 /* Gaussians */: return unit.model.coarseHierarchy.gaussians.polymerRanges;
|
|
27
|
+
case 0 /* Unit.Kind.Atomic */: return unit.model.atomicRanges.polymerRanges;
|
|
28
|
+
case 1 /* Unit.Kind.Spheres */: return unit.model.coarseHierarchy.spheres.polymerRanges;
|
|
29
|
+
case 2 /* Unit.Kind.Gaussians */: return unit.model.coarseHierarchy.gaussians.polymerRanges;
|
|
30
30
|
}
|
|
31
31
|
}
|
|
32
32
|
exports.getPolymerRanges = getPolymerRanges;
|
|
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33
|
function getGapRanges(unit) {
|
|
34
34
|
switch (unit.kind) {
|
|
35
|
-
case 0 /* Atomic */: return unit.model.atomicRanges.gapRanges;
|
|
36
|
-
case 1 /* Spheres */: return unit.model.coarseHierarchy.spheres.gapRanges;
|
|
37
|
-
case 2 /* Gaussians */: return unit.model.coarseHierarchy.gaussians.gapRanges;
|
|
35
|
+
case 0 /* Unit.Kind.Atomic */: return unit.model.atomicRanges.gapRanges;
|
|
36
|
+
case 1 /* Unit.Kind.Spheres */: return unit.model.coarseHierarchy.spheres.gapRanges;
|
|
37
|
+
case 2 /* Unit.Kind.Gaussians */: return unit.model.coarseHierarchy.gaussians.gapRanges;
|
|
38
38
|
}
|
|
39
39
|
}
|
|
40
40
|
exports.getGapRanges = getGapRanges;
|
|
@@ -16,8 +16,8 @@ export declare namespace Types {
|
|
|
16
16
|
const Regex: Type.Value<RegExp>;
|
|
17
17
|
const Set: <T extends Type<any>>(t?: T | undefined) => Type.Container<Set<T["@type"]>>;
|
|
18
18
|
const List: <T extends Type<any>>(t?: T | undefined) => Type.Container<List<T["@type"]>>;
|
|
19
|
-
const Fn: <T extends Type<any>>(t?: T | undefined, alias?: string
|
|
20
|
-
const Flags: <T extends Type<any>>(t: T, alias?: string
|
|
19
|
+
const Fn: <T extends Type<any>>(t?: T | undefined, alias?: string) => Type.Container<(env: any) => T["@type"]>;
|
|
20
|
+
const Flags: <T extends Type<any>>(t: T, alias?: string) => Type.Container<number>;
|
|
21
21
|
const BitFlags: Type.Container<number>;
|
|
22
22
|
}
|
|
23
23
|
export declare const TTargs: Arguments<Arguments.PropTypes<{
|
|
@@ -211,7 +211,7 @@ var symbols = [
|
|
|
211
211
|
C(symbol_table_1.MolScriptSymbolTable.structureQuery.type.elementSymbol, function (ctx, v) { return (0, types_1.ElementSymbol)(v[0](ctx)); }),
|
|
212
212
|
C(symbol_table_1.MolScriptSymbolTable.structureQuery.type.atomName, function (ctx, v) { return (0, string_1.upperCaseAny)(v[0](ctx)); }),
|
|
213
213
|
C(symbol_table_1.MolScriptSymbolTable.structureQuery.type.bondFlags, function (ctx, xs) {
|
|
214
|
-
var ret = 0 /* None */;
|
|
214
|
+
var ret = 0 /* BondType.Flag.None */;
|
|
215
215
|
if (typeof xs.length === 'number') {
|
|
216
216
|
for (var i = 0, _i = xs.length; i < _i; i++)
|
|
217
217
|
ret = bondFlag(ret, xs[i](ctx));
|
|
@@ -226,7 +226,7 @@ var symbols = [
|
|
|
226
226
|
}),
|
|
227
227
|
C(symbol_table_1.MolScriptSymbolTable.structureQuery.type.ringFingerprint, function (ctx, xs) { return structure_1.UnitRing.elementFingerprint(getArray(ctx, xs)); }),
|
|
228
228
|
C(symbol_table_1.MolScriptSymbolTable.structureQuery.type.secondaryStructureFlags, function (ctx, xs) {
|
|
229
|
-
var ret = 0 /* None */;
|
|
229
|
+
var ret = 0 /* SecondaryStructureType.Flag.None */;
|
|
230
230
|
if (typeof xs.length === 'number') {
|
|
231
231
|
for (var i = 0, _i = xs.length; i < _i; i++)
|
|
232
232
|
ret = secondaryStructureFlag(ret, xs[i](ctx));
|
|
@@ -388,20 +388,20 @@ function atomProp(p) {
|
|
|
388
388
|
return function (ctx, xs) { return p((xs && xs[0] && xs[0](ctx)) || ctx.element); };
|
|
389
389
|
}
|
|
390
390
|
function bondFlag(current, f) {
|
|
391
|
-
return current | (types_1.BondType.isName(f) ? types_1.BondType.fromName(f) : 0 /* None */);
|
|
391
|
+
return current | (types_1.BondType.isName(f) ? types_1.BondType.fromName(f) : 0 /* BondType.Flag.None */);
|
|
392
392
|
}
|
|
393
393
|
function secondaryStructureFlag(current, f) {
|
|
394
394
|
switch (f.toLowerCase()) {
|
|
395
|
-
case 'helix': return current | 2 /* Helix */;
|
|
396
|
-
case 'alpha': return current | 2 /* Helix */ | 4096 /* HelixAlpha */;
|
|
397
|
-
case 'pi': return current | 2 /* Helix */ | 32768 /* HelixPi */;
|
|
398
|
-
case '310': return current | 2 /* Helix */ | 2048 /* Helix3Ten */;
|
|
399
|
-
case 'beta': return current | 4 /* Beta */;
|
|
400
|
-
case 'strand': return current | 4 /* Beta */ | 4194304 /* BetaStrand */;
|
|
401
|
-
case 'sheet': return current | 4 /* Beta */ | 8388608 /* BetaSheet */;
|
|
402
|
-
case 'turn': return current | 16 /* Turn */;
|
|
403
|
-
case 'bend': return current | 8 /* Bend */;
|
|
404
|
-
case 'coil': return current | 536870912 /* NA */;
|
|
395
|
+
case 'helix': return current | 2 /* SecondaryStructureType.Flag.Helix */;
|
|
396
|
+
case 'alpha': return current | 2 /* SecondaryStructureType.Flag.Helix */ | 4096 /* SecondaryStructureType.Flag.HelixAlpha */;
|
|
397
|
+
case 'pi': return current | 2 /* SecondaryStructureType.Flag.Helix */ | 32768 /* SecondaryStructureType.Flag.HelixPi */;
|
|
398
|
+
case '310': return current | 2 /* SecondaryStructureType.Flag.Helix */ | 2048 /* SecondaryStructureType.Flag.Helix3Ten */;
|
|
399
|
+
case 'beta': return current | 4 /* SecondaryStructureType.Flag.Beta */;
|
|
400
|
+
case 'strand': return current | 4 /* SecondaryStructureType.Flag.Beta */ | 4194304 /* SecondaryStructureType.Flag.BetaStrand */;
|
|
401
|
+
case 'sheet': return current | 4 /* SecondaryStructureType.Flag.Beta */ | 8388608 /* SecondaryStructureType.Flag.BetaSheet */;
|
|
402
|
+
case 'turn': return current | 16 /* SecondaryStructureType.Flag.Turn */;
|
|
403
|
+
case 'bend': return current | 8 /* SecondaryStructureType.Flag.Bend */;
|
|
404
|
+
case 'coil': return current | 536870912 /* SecondaryStructureType.Flag.NA */;
|
|
405
405
|
default: return current;
|
|
406
406
|
}
|
|
407
407
|
}
|
|
@@ -52,8 +52,8 @@ declare namespace StateObject {
|
|
|
52
52
|
function create<Data, T extends Type>(type: T): {
|
|
53
53
|
new (data: Data, props?: {
|
|
54
54
|
label: string;
|
|
55
|
-
description?: string
|
|
56
|
-
}
|
|
55
|
+
description?: string;
|
|
56
|
+
}): {
|
|
57
57
|
id: UUID;
|
|
58
58
|
type: T;
|
|
59
59
|
label: string;
|
|
@@ -61,7 +61,7 @@ declare namespace StateObject {
|
|
|
61
61
|
data: Data;
|
|
62
62
|
};
|
|
63
63
|
type: T;
|
|
64
|
-
is(obj?: StateObject
|
|
64
|
+
is(obj?: StateObject): obj is {
|
|
65
65
|
id: UUID;
|
|
66
66
|
type: T;
|
|
67
67
|
label: string;
|
|
@@ -7,7 +7,7 @@
|
|
|
7
7
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
8
8
|
exports.UserTiming = void 0;
|
|
9
9
|
var debug_1 = require("../../mol-util/debug");
|
|
10
|
-
var hasPerformance = (typeof performance !== 'undefined') && performance.mark && performance.measure;
|
|
10
|
+
var hasPerformance = (typeof performance !== 'undefined') && !!performance.mark && performance.measure;
|
|
11
11
|
var timingEnabled = hasPerformance && !debug_1.isProductionMode;
|
|
12
12
|
var UserTiming;
|
|
13
13
|
(function (UserTiming) {
|
|
@@ -24,12 +24,12 @@ exports.Clipping = Clipping;
|
|
|
24
24
|
}
|
|
25
25
|
Groups.create = create;
|
|
26
26
|
Groups.Names = {
|
|
27
|
-
'one': 1 /* One */,
|
|
28
|
-
'two': 2 /* Two */,
|
|
29
|
-
'three': 4 /* Three */,
|
|
30
|
-
'four': 8 /* Four */,
|
|
31
|
-
'five': 16 /* Five */,
|
|
32
|
-
'six': 32 /* Six */,
|
|
27
|
+
'one': 1 /* Flag.One */,
|
|
28
|
+
'two': 2 /* Flag.Two */,
|
|
29
|
+
'three': 4 /* Flag.Three */,
|
|
30
|
+
'four': 8 /* Flag.Four */,
|
|
31
|
+
'five': 16 /* Flag.Five */,
|
|
32
|
+
'six': 32 /* Flag.Six */,
|
|
33
33
|
};
|
|
34
34
|
function isName(name) {
|
|
35
35
|
return name in Groups.Names;
|
|
@@ -37,17 +37,17 @@ exports.Clipping = Clipping;
|
|
|
37
37
|
Groups.isName = isName;
|
|
38
38
|
function fromName(name) {
|
|
39
39
|
switch (name) {
|
|
40
|
-
case 'one': return 1 /* One */;
|
|
41
|
-
case 'two': return 2 /* Two */;
|
|
42
|
-
case 'three': return 4 /* Three */;
|
|
43
|
-
case 'four': return 8 /* Four */;
|
|
44
|
-
case 'five': return 16 /* Five */;
|
|
45
|
-
case 'six': return 32 /* Six */;
|
|
40
|
+
case 'one': return 1 /* Flag.One */;
|
|
41
|
+
case 'two': return 2 /* Flag.Two */;
|
|
42
|
+
case 'three': return 4 /* Flag.Three */;
|
|
43
|
+
case 'four': return 8 /* Flag.Four */;
|
|
44
|
+
case 'five': return 16 /* Flag.Five */;
|
|
45
|
+
case 'six': return 32 /* Flag.Six */;
|
|
46
46
|
}
|
|
47
47
|
}
|
|
48
48
|
Groups.fromName = fromName;
|
|
49
49
|
function fromNames(names) {
|
|
50
|
-
var f = 0 /* None */;
|
|
50
|
+
var f = 0 /* Flag.None */;
|
|
51
51
|
for (var i = 0, il = names.length; i < il; ++i) {
|
|
52
52
|
f |= fromName(names[i]);
|
|
53
53
|
}
|
|
@@ -56,17 +56,17 @@ exports.Clipping = Clipping;
|
|
|
56
56
|
Groups.fromNames = fromNames;
|
|
57
57
|
function toNames(groups) {
|
|
58
58
|
var names = [];
|
|
59
|
-
if (Groups.is(groups, 1 /* One */))
|
|
59
|
+
if (Groups.is(groups, 1 /* Flag.One */))
|
|
60
60
|
names.push('one');
|
|
61
|
-
if (Groups.is(groups, 2 /* Two */))
|
|
61
|
+
if (Groups.is(groups, 2 /* Flag.Two */))
|
|
62
62
|
names.push('two');
|
|
63
|
-
if (Groups.is(groups, 4 /* Three */))
|
|
63
|
+
if (Groups.is(groups, 4 /* Flag.Three */))
|
|
64
64
|
names.push('three');
|
|
65
|
-
if (Groups.is(groups, 8 /* Four */))
|
|
65
|
+
if (Groups.is(groups, 8 /* Flag.Four */))
|
|
66
66
|
names.push('four');
|
|
67
|
-
if (Groups.is(groups, 16 /* Five */))
|
|
67
|
+
if (Groups.is(groups, 16 /* Flag.Five */))
|
|
68
68
|
names.push('five');
|
|
69
|
-
if (Groups.is(groups, 32 /* Six */))
|
|
69
|
+
if (Groups.is(groups, 32 /* Flag.Six */))
|
|
70
70
|
names.push('six');
|
|
71
71
|
return names;
|
|
72
72
|
}
|
|
@@ -75,7 +75,7 @@ exports.AtomIdColorTheme = AtomIdColorTheme;
|
|
|
75
75
|
exports.AtomIdColorThemeProvider = {
|
|
76
76
|
name: 'atom-id',
|
|
77
77
|
label: 'Atom Id',
|
|
78
|
-
category: "Atom Property" /* Atom */,
|
|
78
|
+
category: "Atom Property" /* ColorTheme.Category.Atom */,
|
|
79
79
|
factory: AtomIdColorTheme,
|
|
80
80
|
getParams: getAtomIdColorThemeParams,
|
|
81
81
|
defaultValues: param_definition_1.ParamDefinition.getDefaultValues(exports.AtomIdColorThemeParams),
|
|
@@ -59,7 +59,7 @@ exports.CarbohydrateSymbolColorTheme = CarbohydrateSymbolColorTheme;
|
|
|
59
59
|
exports.CarbohydrateSymbolColorThemeProvider = {
|
|
60
60
|
name: 'carbohydrate-symbol',
|
|
61
61
|
label: 'Carbohydrate Symbol',
|
|
62
|
-
category: "Residue Property" /* Residue */,
|
|
62
|
+
category: "Residue Property" /* ColorTheme.Category.Residue */,
|
|
63
63
|
factory: CarbohydrateSymbolColorTheme,
|
|
64
64
|
getParams: getCarbohydrateSymbolColorThemeParams,
|
|
65
65
|
defaultValues: param_definition_1.ParamDefinition.getDefaultValues(exports.CarbohydrateSymbolColorThemeParams),
|
|
@@ -26,12 +26,12 @@ function getChainIdColorThemeParams(ctx) {
|
|
|
26
26
|
exports.getChainIdColorThemeParams = getChainIdColorThemeParams;
|
|
27
27
|
function getAsymId(unit, type) {
|
|
28
28
|
switch (unit.kind) {
|
|
29
|
-
case 0 /* Atomic */:
|
|
29
|
+
case 0 /* Unit.Kind.Atomic */:
|
|
30
30
|
return type === 'auth'
|
|
31
31
|
? structure_1.StructureProperties.chain.auth_asym_id
|
|
32
32
|
: structure_1.StructureProperties.chain.label_asym_id;
|
|
33
|
-
case 1 /* Spheres */:
|
|
34
|
-
case 2 /* Gaussians */:
|
|
33
|
+
case 1 /* Unit.Kind.Spheres */:
|
|
34
|
+
case 2 /* Unit.Kind.Gaussians */:
|
|
35
35
|
return structure_1.StructureProperties.coarse.asym_id;
|
|
36
36
|
}
|
|
37
37
|
}
|
|
@@ -109,7 +109,7 @@ exports.ChainIdColorTheme = ChainIdColorTheme;
|
|
|
109
109
|
exports.ChainIdColorThemeProvider = {
|
|
110
110
|
name: 'chain-id',
|
|
111
111
|
label: 'Chain Id',
|
|
112
|
-
category: "Chain Property" /* Chain */,
|
|
112
|
+
category: "Chain Property" /* ColorTheme.Category.Chain */,
|
|
113
113
|
factory: ChainIdColorTheme,
|
|
114
114
|
getParams: getChainIdColorThemeParams,
|
|
115
115
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defaultValues: param_definition_1.ParamDefinition.getDefaultValues(exports.ChainIdColorThemeParams),
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@@ -66,7 +66,7 @@ exports.ElementIndexColorTheme = ElementIndexColorTheme;
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66
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exports.ElementIndexColorThemeProvider = {
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name: 'element-index',
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label: 'Element Index',
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69
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-
category: "Atom Property" /* Atom */,
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69
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+
category: "Atom Property" /* ColorTheme.Category.Atom */,
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70
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factory: ElementIndexColorTheme,
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71
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getParams: getElementIndexColorThemeParams,
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72
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defaultValues: param_definition_1.ParamDefinition.getDefaultValues(exports.ElementIndexColorThemeParams),
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@@ -94,7 +94,7 @@ exports.ElementSymbolColorTheme = ElementSymbolColorTheme;
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94
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exports.ElementSymbolColorThemeProvider = {
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95
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name: 'element-symbol',
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label: 'Element Symbol',
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97
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-
category: "Atom Property" /* Atom */,
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97
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+
category: "Atom Property" /* ColorTheme.Category.Atom */,
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98
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factory: ElementSymbolColorTheme,
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99
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getParams: getElementSymbolColorThemeParams,
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100
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defaultValues: param_definition_1.ParamDefinition.getDefaultValues(exports.ElementSymbolColorThemeParams),
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