molstar 2.3.3 → 2.3.5
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/CHANGELOG.md +18 -2
- package/build/viewer/index.html +7 -1
- package/build/viewer/molstar.js +1 -1
- package/lib/apps/viewer/index.d.ts +6 -4
- package/lib/apps/viewer/index.html +7 -1
- package/lib/apps/viewer/index.js +8 -4
- package/lib/apps/viewer/index.js.map +1 -1
- package/lib/cli/chem-comp-dict/util.d.ts +4 -4
- package/lib/commonjs/apps/viewer/index.d.ts +7 -5
- package/lib/commonjs/apps/viewer/index.js +8 -4
- package/lib/commonjs/apps/viewer/index.js.map +1 -1
- package/lib/commonjs/cli/chem-comp-dict/util.d.ts +4 -4
- package/lib/commonjs/extensions/cellpack/model.d.ts +1 -1
- package/lib/commonjs/extensions/geo-export/mesh-exporter.d.ts +1 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.d.ts +4 -4
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.d.ts +12 -12
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.d.ts +2 -2
- package/lib/commonjs/extensions/rcsb/validation-report/representation.js +2 -2
- package/lib/commonjs/mol-canvas3d/camera/util.d.ts +4 -3
- package/lib/commonjs/mol-canvas3d/camera/util.js +15 -16
- package/lib/commonjs/mol-canvas3d/camera/util.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/camera.d.ts +11 -3
- package/lib/commonjs/mol-canvas3d/camera.js +21 -1
- package/lib/commonjs/mol-canvas3d/camera.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +14 -4
- package/lib/commonjs/mol-canvas3d/canvas3d.js +8 -2
- package/lib/commonjs/mol-canvas3d/canvas3d.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/helper/camera-helper.d.ts +2 -2
- package/lib/commonjs/mol-canvas3d/helper/interaction-events.d.ts +13 -4
- package/lib/commonjs/mol-canvas3d/helper/interaction-events.js +43 -9
- package/lib/commonjs/mol-canvas3d/helper/interaction-events.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/passes/draw.js +1 -0
- package/lib/commonjs/mol-canvas3d/passes/draw.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/passes/image.d.ts +2 -2
- package/lib/commonjs/mol-canvas3d/passes/pick.d.ts +5 -2
- package/lib/commonjs/mol-canvas3d/passes/pick.js +17 -3
- package/lib/commonjs/mol-canvas3d/passes/pick.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.d.ts +2 -2
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +10 -1
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/image/image.d.ts +2 -2
- package/lib/commonjs/mol-geo/geometry/image/image.js +4 -1
- package/lib/commonjs/mol-geo/geometry/image/image.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/lines/lines.js +1 -1
- package/lib/commonjs/mol-geo/geometry/lines/lines.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/points/points.js +1 -1
- package/lib/commonjs/mol-geo/geometry/points/points.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +6 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js.map +1 -1
- package/lib/commonjs/mol-gl/renderer.d.ts +3 -2
- package/lib/commonjs/mol-gl/renderer.js +3 -0
- package/lib/commonjs/mol-gl/renderer.js.map +1 -1
- package/lib/commonjs/mol-gl/shader/lines.vert.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/lines.vert.js +1 -1
- package/lib/commonjs/mol-gl/shader/lines.vert.js.map +1 -1
- package/lib/commonjs/mol-gl/shader/points.vert.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/points.vert.js +1 -1
- package/lib/commonjs/mol-gl/shader/points.vert.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/context.d.ts +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/bird.d.ts +5 -5
- package/lib/commonjs/mol-io/reader/cif/schema/ccd.d.ts +2 -2
- package/lib/commonjs/mol-io/reader/cif/schema/density-server.d.ts +4 -4
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif-extras.d.ts +3 -3
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif.d.ts +22 -22
- package/lib/commonjs/mol-io/reader/ply/schema.d.ts +1 -1
- package/lib/commonjs/mol-math/linear-algebra/3d/vec3.d.ts +3 -1
- package/lib/commonjs/mol-math/linear-algebra/3d/vec3.js +11 -3
- package/lib/commonjs/mol-math/linear-algebra/3d/vec3.js.map +1 -1
- package/lib/commonjs/mol-math/misc.d.ts +3 -1
- package/lib/commonjs/mol-math/misc.js +24 -2
- package/lib/commonjs/mol-math/misc.js.map +1 -1
- package/lib/commonjs/mol-model/loci.d.ts +32 -32
- package/lib/commonjs/mol-model/loci.js +4 -3
- package/lib/commonjs/mol-model/loci.js.map +1 -1
- package/lib/commonjs/mol-model/shape/shape.d.ts +1 -1
- package/lib/commonjs/mol-model/structure/query/utils/structure-distance.d.ts +5 -54
- package/lib/commonjs/mol-model/structure/structure/properties.d.ts +3 -3
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/intra-compute.js +1 -1
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/intra-compute.js.map +1 -1
- package/lib/commonjs/mol-model/structure/structure/unit/bonds.d.ts +2 -1
- package/lib/commonjs/mol-model/structure/structure/unit/bonds.js +6 -1
- package/lib/commonjs/mol-model/structure/structure/unit/bonds.js.map +1 -1
- package/lib/commonjs/mol-model/structure/structure/unit.d.ts +2 -2
- package/lib/commonjs/mol-model-formats/shape/ply.d.ts +12 -12
- package/lib/commonjs/mol-model-formats/structure/basic/schema.d.ts +6 -6
- package/lib/commonjs/mol-model-formats/structure/common/component.d.ts +8 -8
- package/lib/commonjs/mol-model-formats/structure/common/entity.d.ts +1 -1
- package/lib/commonjs/mol-model-formats/structure/pdb/entity.js +29 -3
- package/lib/commonjs/mol-model-formats/structure/pdb/entity.js.map +1 -1
- package/lib/commonjs/mol-model-props/sequence/themes/best-database-mapping.d.ts +12 -12
- package/lib/commonjs/mol-plugin/behavior/behavior.d.ts +1 -1
- package/lib/commonjs/mol-plugin/behavior/dynamic/representation.d.ts +4 -2
- package/lib/commonjs/mol-plugin/behavior/dynamic/representation.js +22 -8
- package/lib/commonjs/mol-plugin/behavior/dynamic/representation.js.map +1 -1
- package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/behavior.d.ts +10 -10
- package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/transformers.d.ts +7 -7
- package/lib/commonjs/mol-plugin/commands.d.ts +6 -2
- package/lib/commonjs/mol-plugin/config.d.ts +1 -0
- package/lib/commonjs/mol-plugin/config.js +1 -0
- package/lib/commonjs/mol-plugin/config.js.map +1 -1
- package/lib/commonjs/mol-plugin/context.js +6 -4
- package/lib/commonjs/mol-plugin/context.js.map +1 -1
- package/lib/commonjs/mol-plugin/util/viewport-screenshot.d.ts +6 -6
- package/lib/commonjs/mol-plugin-state/animation/built-in/model-index.d.ts +3 -3
- package/lib/commonjs/mol-plugin-state/builder/structure/hierarchy-preset.d.ts +7 -7
- package/lib/commonjs/mol-plugin-state/builder/structure/hierarchy.d.ts +7 -7
- package/lib/commonjs/mol-plugin-state/builder/structure/representation-preset.d.ts +10 -10
- package/lib/commonjs/mol-plugin-state/formats/volume.d.ts +16 -16
- package/lib/commonjs/mol-plugin-state/helpers/root-structure.d.ts +7 -7
- package/lib/commonjs/mol-plugin-state/helpers/structure-component.d.ts +1 -1
- package/lib/commonjs/mol-plugin-state/manager/interactivity.d.ts +2 -2
- package/lib/commonjs/mol-plugin-state/manager/interactivity.js +12 -11
- package/lib/commonjs/mol-plugin-state/manager/interactivity.js.map +1 -1
- package/lib/commonjs/mol-plugin-state/manager/structure/selection.d.ts +2 -2
- package/lib/commonjs/mol-plugin-state/transforms/data.d.ts +1 -1
- package/lib/commonjs/mol-plugin-state/transforms/model.d.ts +9 -9
- package/lib/commonjs/mol-plugin-state/transforms/representation.d.ts +1 -1
- package/lib/commonjs/mol-plugin-ui/controls/parameters.d.ts +2 -2
- package/lib/commonjs/mol-repr/shape/loci/orientation.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/complex-visual.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/params.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/registry.d.ts +23 -15
- package/lib/commonjs/mol-repr/structure/representation/ball-and-stick.d.ts +9 -6
- package/lib/commonjs/mol-repr/structure/representation/ellipsoid.d.ts +9 -6
- package/lib/commonjs/mol-repr/structure/representation/gaussian-surface.d.ts +6 -6
- package/lib/commonjs/mol-repr/structure/representation/gaussian-volume.d.ts +3 -3
- package/lib/commonjs/mol-repr/structure/representation/line.d.ts +37 -19
- package/lib/commonjs/mol-repr/structure/representation/line.js +10 -4
- package/lib/commonjs/mol-repr/structure/representation/line.js.map +1 -1
- package/lib/commonjs/mol-repr/structure/representation/molecular-surface.d.ts +6 -6
- package/lib/commonjs/mol-repr/structure/units-visual.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-cylinder.d.ts +6 -4
- package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-cylinder.js +14 -9
- package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-cylinder.js.map +1 -1
- package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-line.d.ts +3 -2
- package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-line.js +12 -8
- package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-line.js.map +1 -1
- package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-cylinder.d.ts +6 -4
- package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-cylinder.js +15 -7
- package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-cylinder.js.map +1 -1
- package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-line.d.ts +3 -2
- package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-line.js +13 -6
- package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-line.js.map +1 -1
- package/lib/commonjs/mol-repr/structure/visual/element-cross.d.ts +26 -0
- package/lib/commonjs/mol-repr/structure/visual/element-cross.js +77 -0
- package/lib/commonjs/mol-repr/structure/visual/element-cross.js.map +1 -0
- package/lib/commonjs/mol-repr/structure/visual/gaussian-density-volume.d.ts +2 -2
- package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-mesh.d.ts +8 -8
- package/lib/commonjs/mol-repr/structure/visual/molecular-surface-mesh.d.ts +2 -2
- package/lib/commonjs/mol-repr/structure/visual/util/bond.d.ts +22 -16
- package/lib/commonjs/mol-repr/structure/visual/util/bond.js +1 -0
- package/lib/commonjs/mol-repr/structure/visual/util/bond.js.map +1 -1
- package/lib/commonjs/mol-repr/structure/visual/util/color.d.ts +2 -2
- package/lib/commonjs/mol-repr/structure/visual/util/element.d.ts +4 -4
- package/lib/commonjs/mol-repr/structure/visual/util/link.d.ts +6 -4
- package/lib/commonjs/mol-repr/structure/visual/util/link.js +66 -23
- package/lib/commonjs/mol-repr/structure/visual/util/link.js.map +1 -1
- package/lib/commonjs/mol-repr/structure/visual/util/polymer.d.ts +2 -2
- package/lib/commonjs/mol-repr/volume/direct-volume.d.ts +5 -5
- package/lib/commonjs/mol-repr/volume/isosurface.d.ts +3 -3
- package/lib/commonjs/mol-repr/volume/registry.d.ts +4 -4
- package/lib/commonjs/mol-repr/volume/slice.d.ts +6 -6
- package/lib/commonjs/mol-theme/color/atom-id.d.ts +12 -12
- package/lib/commonjs/mol-theme/color/chain-id.d.ts +12 -12
- package/lib/commonjs/mol-theme/color/element-index.d.ts +12 -12
- package/lib/commonjs/mol-theme/color/element-symbol.d.ts +12 -12
- package/lib/commonjs/mol-theme/color/entity-id.d.ts +12 -12
- package/lib/commonjs/mol-theme/color/entity-source.d.ts +12 -12
- package/lib/commonjs/mol-theme/color/illustrative.d.ts +12 -12
- package/lib/commonjs/mol-theme/color/model-index.d.ts +12 -12
- package/lib/commonjs/mol-theme/color/operator-hkl.d.ts +12 -12
- package/lib/commonjs/mol-theme/color/operator-name.d.ts +12 -12
- package/lib/commonjs/mol-theme/color/polymer-id.d.ts +12 -12
- package/lib/commonjs/mol-theme/color/polymer-index.d.ts +12 -12
- package/lib/commonjs/mol-theme/color/unit-index.d.ts +12 -12
- package/lib/commonjs/mol-theme/color.d.ts +78 -78
- package/lib/commonjs/mol-util/color/palette.d.ts +12 -12
- package/lib/commonjs/servers/model/config.js +0 -1
- package/lib/commonjs/servers/model/config.js.map +1 -1
- package/lib/commonjs/servers/volume/config.js +0 -1
- package/lib/commonjs/servers/volume/config.js.map +1 -1
- package/lib/extensions/cellpack/model.d.ts +1 -1
- package/lib/extensions/rcsb/assembly-symmetry/behavior.d.ts +4 -4
- package/lib/extensions/rcsb/assembly-symmetry/color.d.ts +12 -12
- package/lib/extensions/rcsb/assembly-symmetry/representation.d.ts +2 -2
- package/lib/extensions/rcsb/validation-report/representation.js +2 -2
- package/lib/mol-canvas3d/camera/util.d.ts +4 -3
- package/lib/mol-canvas3d/camera/util.js +15 -16
- package/lib/mol-canvas3d/camera/util.js.map +1 -1
- package/lib/mol-canvas3d/camera.d.ts +11 -3
- package/lib/mol-canvas3d/camera.js +22 -2
- package/lib/mol-canvas3d/camera.js.map +1 -1
- package/lib/mol-canvas3d/canvas3d.d.ts +14 -4
- package/lib/mol-canvas3d/canvas3d.js +9 -3
- package/lib/mol-canvas3d/canvas3d.js.map +1 -1
- package/lib/mol-canvas3d/helper/camera-helper.d.ts +2 -2
- package/lib/mol-canvas3d/helper/interaction-events.d.ts +13 -4
- package/lib/mol-canvas3d/helper/interaction-events.js +43 -9
- package/lib/mol-canvas3d/helper/interaction-events.js.map +1 -1
- package/lib/mol-canvas3d/passes/draw.js +1 -0
- package/lib/mol-canvas3d/passes/draw.js.map +1 -1
- package/lib/mol-canvas3d/passes/image.d.ts +2 -2
- package/lib/mol-canvas3d/passes/pick.d.ts +5 -2
- package/lib/mol-canvas3d/passes/pick.js +17 -3
- package/lib/mol-canvas3d/passes/pick.js.map +1 -1
- package/lib/mol-data/int/impl/ordered-set.d.ts +3 -3
- package/lib/mol-geo/geometry/direct-volume/direct-volume.d.ts +2 -2
- package/lib/mol-geo/geometry/direct-volume/direct-volume.js +12 -3
- package/lib/mol-geo/geometry/direct-volume/direct-volume.js.map +1 -1
- package/lib/mol-geo/geometry/image/image.d.ts +2 -2
- package/lib/mol-geo/geometry/image/image.js +5 -2
- package/lib/mol-geo/geometry/image/image.js.map +1 -1
- package/lib/mol-geo/geometry/lines/lines.js +1 -1
- package/lib/mol-geo/geometry/lines/lines.js.map +1 -1
- package/lib/mol-geo/geometry/points/points.js +1 -1
- package/lib/mol-geo/geometry/points/points.js.map +1 -1
- package/lib/mol-geo/geometry/texture-mesh/texture-mesh.js +6 -1
- package/lib/mol-geo/geometry/texture-mesh/texture-mesh.js.map +1 -1
- package/lib/mol-gl/renderer.d.ts +3 -2
- package/lib/mol-gl/renderer.js +3 -0
- package/lib/mol-gl/renderer.js.map +1 -1
- package/lib/mol-gl/shader/lines.vert.d.ts +1 -1
- package/lib/mol-gl/shader/lines.vert.js +1 -1
- package/lib/mol-gl/shader/lines.vert.js.map +1 -1
- package/lib/mol-gl/shader/points.vert.d.ts +1 -1
- package/lib/mol-gl/shader/points.vert.js +1 -1
- package/lib/mol-gl/shader/points.vert.js.map +1 -1
- package/lib/mol-gl/webgl/context.d.ts +1 -1
- package/lib/mol-io/reader/cif/schema/bird.d.ts +5 -5
- package/lib/mol-io/reader/cif/schema/ccd.d.ts +2 -2
- package/lib/mol-io/reader/cif/schema/density-server.d.ts +4 -4
- package/lib/mol-io/reader/cif/schema/mmcif-extras.d.ts +3 -3
- package/lib/mol-io/reader/cif/schema/mmcif.d.ts +23 -23
- package/lib/mol-io/reader/ply/schema.d.ts +1 -1
- package/lib/mol-math/linear-algebra/3d/vec3.d.ts +3 -1
- package/lib/mol-math/linear-algebra/3d/vec3.js +11 -3
- package/lib/mol-math/linear-algebra/3d/vec3.js.map +1 -1
- package/lib/mol-math/misc.d.ts +3 -1
- package/lib/mol-math/misc.js +22 -1
- package/lib/mol-math/misc.js.map +1 -1
- package/lib/mol-model/loci.d.ts +32 -32
- package/lib/mol-model/loci.js +4 -3
- package/lib/mol-model/loci.js.map +1 -1
- package/lib/mol-model/shape/shape.d.ts +1 -1
- package/lib/mol-model/structure/query/utils/structure-distance.d.ts +5 -54
- package/lib/mol-model/structure/structure/properties.d.ts +3 -3
- package/lib/mol-model/structure/structure/unit/bonds/intra-compute.js +1 -1
- package/lib/mol-model/structure/structure/unit/bonds/intra-compute.js.map +1 -1
- package/lib/mol-model/structure/structure/unit/bonds.d.ts +2 -1
- package/lib/mol-model/structure/structure/unit/bonds.js +7 -2
- package/lib/mol-model/structure/structure/unit/bonds.js.map +1 -1
- package/lib/mol-model/structure/structure/unit.d.ts +2 -2
- package/lib/mol-model-formats/shape/ply.d.ts +12 -12
- package/lib/mol-model-formats/structure/basic/schema.d.ts +6 -6
- package/lib/mol-model-formats/structure/common/component.d.ts +8 -8
- package/lib/mol-model-formats/structure/common/entity.d.ts +1 -1
- package/lib/mol-model-formats/structure/pdb/entity.js +29 -3
- package/lib/mol-model-formats/structure/pdb/entity.js.map +1 -1
- package/lib/mol-model-props/sequence/themes/best-database-mapping.d.ts +12 -12
- package/lib/mol-plugin/behavior/behavior.d.ts +1 -1
- package/lib/mol-plugin/behavior/dynamic/representation.d.ts +4 -2
- package/lib/mol-plugin/behavior/dynamic/representation.js +23 -9
- package/lib/mol-plugin/behavior/dynamic/representation.js.map +1 -1
- package/lib/mol-plugin/behavior/dynamic/volume-streaming/behavior.d.ts +10 -10
- package/lib/mol-plugin/behavior/dynamic/volume-streaming/transformers.d.ts +7 -7
- package/lib/mol-plugin/commands.d.ts +6 -2
- package/lib/mol-plugin/config.d.ts +1 -0
- package/lib/mol-plugin/config.js +1 -0
- package/lib/mol-plugin/config.js.map +1 -1
- package/lib/mol-plugin/context.js +6 -4
- package/lib/mol-plugin/context.js.map +1 -1
- package/lib/mol-plugin/util/viewport-screenshot.d.ts +6 -6
- package/lib/mol-plugin/version.js +2 -2
- package/lib/mol-plugin-state/animation/built-in/model-index.d.ts +3 -3
- package/lib/mol-plugin-state/builder/structure/hierarchy-preset.d.ts +7 -7
- package/lib/mol-plugin-state/builder/structure/hierarchy.d.ts +7 -7
- package/lib/mol-plugin-state/builder/structure/representation-preset.d.ts +10 -10
- package/lib/mol-plugin-state/formats/volume.d.ts +16 -16
- package/lib/mol-plugin-state/helpers/root-structure.d.ts +7 -7
- package/lib/mol-plugin-state/helpers/structure-component.d.ts +1 -1
- package/lib/mol-plugin-state/manager/interactivity.d.ts +2 -2
- package/lib/mol-plugin-state/manager/interactivity.js +12 -11
- package/lib/mol-plugin-state/manager/interactivity.js.map +1 -1
- package/lib/mol-plugin-state/manager/structure/selection.d.ts +2 -2
- package/lib/mol-plugin-state/transforms/data.d.ts +1 -1
- package/lib/mol-plugin-state/transforms/model.d.ts +9 -9
- package/lib/mol-plugin-state/transforms/representation.d.ts +2 -2
- package/lib/mol-repr/shape/loci/orientation.d.ts +1 -1
- package/lib/mol-repr/shape/model/unitcell.d.ts +1 -1
- package/lib/mol-repr/structure/complex-visual.d.ts +1 -1
- package/lib/mol-repr/structure/params.d.ts +1 -1
- package/lib/mol-repr/structure/registry.d.ts +19 -11
- package/lib/mol-repr/structure/representation/ball-and-stick.d.ts +3 -0
- package/lib/mol-repr/structure/representation/ellipsoid.d.ts +3 -0
- package/lib/mol-repr/structure/representation/gaussian-surface.d.ts +6 -6
- package/lib/mol-repr/structure/representation/gaussian-volume.d.ts +3 -3
- package/lib/mol-repr/structure/representation/label.d.ts +3 -3
- package/lib/mol-repr/structure/representation/line.d.ts +34 -16
- package/lib/mol-repr/structure/representation/line.js +10 -4
- package/lib/mol-repr/structure/representation/line.js.map +1 -1
- package/lib/mol-repr/structure/representation/molecular-surface.d.ts +6 -6
- package/lib/mol-repr/structure/units-visual.d.ts +1 -1
- package/lib/mol-repr/structure/visual/bond-inter-unit-cylinder.d.ts +2 -0
- package/lib/mol-repr/structure/visual/bond-inter-unit-cylinder.js +14 -9
- package/lib/mol-repr/structure/visual/bond-inter-unit-cylinder.js.map +1 -1
- package/lib/mol-repr/structure/visual/bond-inter-unit-line.d.ts +1 -0
- package/lib/mol-repr/structure/visual/bond-inter-unit-line.js +12 -8
- package/lib/mol-repr/structure/visual/bond-inter-unit-line.js.map +1 -1
- package/lib/mol-repr/structure/visual/bond-intra-unit-cylinder.d.ts +2 -0
- package/lib/mol-repr/structure/visual/bond-intra-unit-cylinder.js +15 -7
- package/lib/mol-repr/structure/visual/bond-intra-unit-cylinder.js.map +1 -1
- package/lib/mol-repr/structure/visual/bond-intra-unit-line.d.ts +1 -0
- package/lib/mol-repr/structure/visual/bond-intra-unit-line.js +13 -6
- package/lib/mol-repr/structure/visual/bond-intra-unit-line.js.map +1 -1
- package/lib/mol-repr/structure/visual/element-cross.d.ts +26 -0
- package/lib/mol-repr/structure/visual/element-cross.js +72 -0
- package/lib/mol-repr/structure/visual/element-cross.js.map +1 -0
- package/lib/mol-repr/structure/visual/gaussian-density-volume.d.ts +2 -2
- package/lib/mol-repr/structure/visual/gaussian-surface-mesh.d.ts +8 -8
- package/lib/mol-repr/structure/visual/label-text.d.ts +1 -1
- package/lib/mol-repr/structure/visual/molecular-surface-mesh.d.ts +2 -2
- package/lib/mol-repr/structure/visual/util/bond.d.ts +10 -4
- package/lib/mol-repr/structure/visual/util/bond.js +1 -0
- package/lib/mol-repr/structure/visual/util/bond.js.map +1 -1
- package/lib/mol-repr/structure/visual/util/color.d.ts +2 -2
- package/lib/mol-repr/structure/visual/util/element.d.ts +4 -4
- package/lib/mol-repr/structure/visual/util/link.d.ts +6 -4
- package/lib/mol-repr/structure/visual/util/link.js +66 -23
- package/lib/mol-repr/structure/visual/util/link.js.map +1 -1
- package/lib/mol-repr/structure/visual/util/polymer.d.ts +2 -2
- package/lib/mol-repr/volume/direct-volume.d.ts +5 -5
- package/lib/mol-repr/volume/isosurface.d.ts +3 -3
- package/lib/mol-repr/volume/registry.d.ts +4 -4
- package/lib/mol-repr/volume/slice.d.ts +6 -6
- package/lib/mol-theme/color/atom-id.d.ts +12 -12
- package/lib/mol-theme/color/chain-id.d.ts +12 -12
- package/lib/mol-theme/color/element-index.d.ts +12 -12
- package/lib/mol-theme/color/element-symbol.d.ts +12 -12
- package/lib/mol-theme/color/entity-id.d.ts +12 -12
- package/lib/mol-theme/color/entity-source.d.ts +12 -12
- package/lib/mol-theme/color/illustrative.d.ts +12 -12
- package/lib/mol-theme/color/model-index.d.ts +12 -12
- package/lib/mol-theme/color/operator-hkl.d.ts +12 -12
- package/lib/mol-theme/color/operator-name.d.ts +12 -12
- package/lib/mol-theme/color/polymer-id.d.ts +12 -12
- package/lib/mol-theme/color/polymer-index.d.ts +12 -12
- package/lib/mol-theme/color/unit-index.d.ts +12 -12
- package/lib/mol-theme/color.d.ts +78 -78
- package/lib/mol-util/color/palette.d.ts +12 -12
- package/lib/servers/model/config.js +0 -1
- package/lib/servers/model/config.js.map +1 -1
- package/lib/servers/volume/config.js +0 -1
- package/lib/servers/volume/config.js.map +1 -1
- package/lib/tsconfig.commonjs.tsbuildinfo +1 -1
- package/package.json +18 -18
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"use strict";
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/**
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* Copyright (c) 2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
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*
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* @author Alexander Rose <alexander.rose@weirdbyte.de>
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*/
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Object.defineProperty(exports, "__esModule", { value: true });
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exports.ElementCrossVisual = exports.createElementCross = exports.ElementCrossParams = void 0;
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var tslib_1 = require("tslib");
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var param_definition_1 = require("../../../mol-util/param-definition");
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var units_visual_1 = require("../units-visual");
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var structure_1 = require("../../../mol-model/structure");
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var linear_algebra_1 = require("../../../mol-math/linear-algebra");
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var element_1 = require("./util/element");
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var geometry_1 = require("../../../mol-math/geometry");
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var lines_1 = require("../../../mol-geo/geometry/lines/lines");
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var lines_builder_1 = require("../../../mol-geo/geometry/lines/lines-builder");
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var util_1 = require("../../../mol-model-props/computed/chemistry/util");
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// avoiding namespace lookup improved performance in Chrome (Aug 2020)
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var v3scaleAndAdd = linear_algebra_1.Vec3.scaleAndAdd;
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var v3unitX = linear_algebra_1.Vec3.unitX;
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var v3unitY = linear_algebra_1.Vec3.unitY;
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var v3unitZ = linear_algebra_1.Vec3.unitZ;
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exports.ElementCrossParams = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, units_visual_1.UnitsLinesParams), { lineSizeAttenuation: param_definition_1.ParamDefinition.Boolean(false), ignoreHydrogens: param_definition_1.ParamDefinition.Boolean(false), traceOnly: param_definition_1.ParamDefinition.Boolean(false), crosses: param_definition_1.ParamDefinition.Select('lone', param_definition_1.ParamDefinition.arrayToOptions(['lone', 'all'])), crossSize: param_definition_1.ParamDefinition.Numeric(0.35, { min: 0, max: 2, step: 0.01 }) });
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function createElementCross(ctx, unit, structure, theme, props, lines) {
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var child = structure.child;
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if (child && !child.unitMap.get(unit.id))
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return lines_1.Lines.createEmpty(lines);
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var elements = unit.elements;
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var n = elements.length;
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var builder = lines_builder_1.LinesBuilder.create(n, n / 10, lines);
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var p = (0, linear_algebra_1.Vec3)();
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var s = (0, linear_algebra_1.Vec3)();
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var e = (0, linear_algebra_1.Vec3)();
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var pos = unit.conformation.invariantPosition;
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var ignore = (0, element_1.makeElementIgnoreTest)(structure, unit, props);
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var r = props.crossSize / 2;
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var lone = props.crosses === 'lone';
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for (var i = 0; i < n; ++i) {
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if (ignore && ignore(elements[i]))
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continue;
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if (lone && structure_1.Unit.isAtomic(unit) && (0, util_1.bondCount)(structure, unit, i) !== 0)
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continue;
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pos(elements[i], p);
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v3scaleAndAdd(s, p, v3unitX, r);
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v3scaleAndAdd(e, p, v3unitX, -r);
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builder.add(s[0], s[1], s[2], e[0], e[1], e[2], i);
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v3scaleAndAdd(s, p, v3unitY, r);
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v3scaleAndAdd(e, p, v3unitY, -r);
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builder.add(s[0], s[1], s[2], e[0], e[1], e[2], i);
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v3scaleAndAdd(s, p, v3unitZ, r);
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v3scaleAndAdd(e, p, v3unitZ, -r);
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builder.add(s[0], s[1], s[2], e[0], e[1], e[2], i);
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}
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var l = builder.getLines();
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var sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), unit.boundary.sphere, 1 * props.sizeFactor);
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l.setBoundingSphere(sphere);
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return l;
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}
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exports.createElementCross = createElementCross;
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function ElementCrossVisual(materialId) {
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return (0, units_visual_1.UnitsLinesVisual)({
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defaultProps: param_definition_1.ParamDefinition.getDefaultValues(exports.ElementCrossParams),
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createGeometry: createElementCross,
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createLocationIterator: element_1.ElementIterator.fromGroup,
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getLoci: element_1.getElementLoci,
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eachLocation: element_1.eachElement,
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setUpdateState: function (state, newProps, currentProps) {
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state.createGeometry = (newProps.ignoreHydrogens !== currentProps.ignoreHydrogens ||
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newProps.traceOnly !== currentProps.traceOnly ||
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newProps.crosses !== currentProps.crosses ||
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newProps.crossSize !== currentProps.crossSize);
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}
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}, materialId);
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}
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exports.ElementCrossVisual = ElementCrossVisual;
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//# sourceMappingURL=element-cross.js.map
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@@ -22,7 +22,7 @@ export declare const GaussianDensityVolumeParams: {
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renderMode: PD.Mapped<PD.NamedParams<PD.Normalize<{
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controlPoints: import("../../../mol-math/linear-algebra/3d/vec2").Vec2[];
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list: {
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kind: "
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kind: "set" | "interpolate";
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colors: import("../../../mol-util/color/color").ColorListEntry[];
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};
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}>, "volume"> | PD.NamedParams<PD.Normalize<{
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@@ -58,7 +58,7 @@ export declare const UnitsGaussianDensityVolumeParams: {
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renderMode: PD.Mapped<PD.NamedParams<PD.Normalize<{
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controlPoints: import("../../../mol-math/linear-algebra/3d/vec2").Vec2[];
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list: {
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kind: "
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kind: "set" | "interpolate";
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colors: import("../../../mol-util/color/color").ColorListEntry[];
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};
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}>, "volume"> | PD.NamedParams<PD.Normalize<{
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@@ -12,10 +12,10 @@ export declare const GaussianSurfaceMeshParams: {
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ignoreHydrogens: PD.BooleanParam;
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tryUseGpu: PD.BooleanParam;
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includeParent: PD.BooleanParam;
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smoothColors: PD.Mapped<PD.NamedParams<PD.Normalize<unknown>, "
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smoothColors: PD.Mapped<PD.NamedParams<PD.Normalize<unknown>, "auto"> | PD.NamedParams<PD.Normalize<{
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resolutionFactor: number;
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sampleStride: number;
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}>, "on">>;
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}>, "on"> | PD.NamedParams<PD.Normalize<unknown>, "off">>;
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traceOnly: PD.BooleanParam;
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resolution: PD.Numeric;
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radiusOffset: PD.Numeric;
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@@ -34,10 +34,10 @@ export declare const StructureGaussianSurfaceMeshParams: {
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ignoreHydrogens: PD.BooleanParam;
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tryUseGpu: PD.BooleanParam;
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includeParent: PD.BooleanParam;
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smoothColors: PD.Mapped<PD.NamedParams<PD.Normalize<unknown>, "
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smoothColors: PD.Mapped<PD.NamedParams<PD.Normalize<unknown>, "auto"> | PD.NamedParams<PD.Normalize<{
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resolutionFactor: number;
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sampleStride: number;
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}>, "on">>;
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}>, "on"> | PD.NamedParams<PD.Normalize<unknown>, "off">>;
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traceOnly: PD.BooleanParam;
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resolution: PD.Numeric;
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radiusOffset: PD.Numeric;
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@@ -56,10 +56,10 @@ export declare function GaussianSurfaceVisual(materialId: number, structure: Str
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ignoreHydrogens: PD.BooleanParam;
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tryUseGpu: PD.BooleanParam;
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includeParent: PD.BooleanParam;
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smoothColors: PD.Mapped<PD.NamedParams<PD.Normalize<unknown>, "
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smoothColors: PD.Mapped<PD.NamedParams<PD.Normalize<unknown>, "auto"> | PD.NamedParams<PD.Normalize<{
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resolutionFactor: number;
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sampleStride: number;
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}>, "on">>;
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}>, "on"> | PD.NamedParams<PD.Normalize<unknown>, "off">>;
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traceOnly: PD.BooleanParam;
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resolution: PD.Numeric;
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radiusOffset: PD.Numeric;
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@@ -77,10 +77,10 @@ export declare function StructureGaussianSurfaceVisual(materialId: number, struc
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ignoreHydrogens: PD.BooleanParam;
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tryUseGpu: PD.BooleanParam;
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includeParent: PD.BooleanParam;
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-
smoothColors: PD.Mapped<PD.NamedParams<PD.Normalize<unknown>, "
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+
smoothColors: PD.Mapped<PD.NamedParams<PD.Normalize<unknown>, "auto"> | PD.NamedParams<PD.Normalize<{
|
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|
resolutionFactor: number;
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sampleStride: number;
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-
}>, "on">>;
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83
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+
}>, "on"> | PD.NamedParams<PD.Normalize<unknown>, "off">>;
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traceOnly: PD.BooleanParam;
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85
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resolution: PD.Numeric;
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radiusOffset: PD.Numeric;
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@@ -6,10 +6,10 @@
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6
6
|
import { ParamDefinition as PD } from '../../../mol-util/param-definition';
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7
7
|
import { UnitsVisual } from '../units-visual';
|
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8
8
|
export declare const MolecularSurfaceMeshParams: {
|
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9
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-
smoothColors: PD.Mapped<PD.NamedParams<PD.Normalize<unknown>, "
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9
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+
smoothColors: PD.Mapped<PD.NamedParams<PD.Normalize<unknown>, "auto"> | PD.NamedParams<PD.Normalize<{
|
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10
10
|
resolutionFactor: number;
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11
11
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sampleStride: number;
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12
|
-
}>, "on">>;
|
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12
|
+
}>, "on"> | PD.NamedParams<PD.Normalize<unknown>, "off">>;
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13
13
|
ignoreHydrogens: PD.BooleanParam;
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14
14
|
traceOnly: PD.BooleanParam;
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15
15
|
includeParent: PD.BooleanParam;
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@@ -12,24 +12,27 @@ import { Loci } from '../../../../mol-model/loci';
|
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12
12
|
import { Interval } from '../../../../mol-data/int';
|
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13
13
|
import { StructureGroup } from './common';
|
|
14
14
|
export declare const BondParams: {
|
|
15
|
-
includeTypes: PD.MultiSelect<"computed" | "
|
|
16
|
-
excludeTypes: PD.MultiSelect<"computed" | "
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15
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+
includeTypes: PD.MultiSelect<"covalent" | "computed" | "aromatic" | "metal-coordination" | "hydrogen-bond" | "disulfide">;
|
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16
|
+
excludeTypes: PD.MultiSelect<"covalent" | "computed" | "aromatic" | "metal-coordination" | "hydrogen-bond" | "disulfide">;
|
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17
17
|
ignoreHydrogens: PD.BooleanParam;
|
|
18
18
|
aromaticBonds: PD.BooleanParam;
|
|
19
|
+
multipleBonds: PD.Select<"off" | "symmetric" | "offset">;
|
|
19
20
|
};
|
|
20
21
|
export declare const DefaultBondProps: PD.Values<{
|
|
21
|
-
includeTypes: PD.MultiSelect<"computed" | "
|
|
22
|
-
excludeTypes: PD.MultiSelect<"computed" | "
|
|
22
|
+
includeTypes: PD.MultiSelect<"covalent" | "computed" | "aromatic" | "metal-coordination" | "hydrogen-bond" | "disulfide">;
|
|
23
|
+
excludeTypes: PD.MultiSelect<"covalent" | "computed" | "aromatic" | "metal-coordination" | "hydrogen-bond" | "disulfide">;
|
|
23
24
|
ignoreHydrogens: PD.BooleanParam;
|
|
24
25
|
aromaticBonds: PD.BooleanParam;
|
|
26
|
+
multipleBonds: PD.Select<"off" | "symmetric" | "offset">;
|
|
25
27
|
}>;
|
|
26
28
|
export declare type BondProps = typeof DefaultBondProps;
|
|
27
29
|
export declare const BondCylinderParams: {
|
|
28
30
|
adjustCylinderLength: PD.BooleanParam;
|
|
29
|
-
includeTypes: PD.MultiSelect<"computed" | "
|
|
30
|
-
excludeTypes: PD.MultiSelect<"computed" | "
|
|
31
|
+
includeTypes: PD.MultiSelect<"covalent" | "computed" | "aromatic" | "metal-coordination" | "hydrogen-bond" | "disulfide">;
|
|
32
|
+
excludeTypes: PD.MultiSelect<"covalent" | "computed" | "aromatic" | "metal-coordination" | "hydrogen-bond" | "disulfide">;
|
|
31
33
|
ignoreHydrogens: PD.BooleanParam;
|
|
32
34
|
aromaticBonds: PD.BooleanParam;
|
|
35
|
+
multipleBonds: PD.Select<"off" | "symmetric" | "offset">;
|
|
33
36
|
linkScale: PD.Numeric;
|
|
34
37
|
linkSpacing: PD.Numeric;
|
|
35
38
|
linkCap: PD.BooleanParam;
|
|
@@ -41,10 +44,11 @@ export declare const BondCylinderParams: {
|
|
|
41
44
|
};
|
|
42
45
|
export declare const DefaultBondCylinderProps: PD.Values<{
|
|
43
46
|
adjustCylinderLength: PD.BooleanParam;
|
|
44
|
-
includeTypes: PD.MultiSelect<"computed" | "
|
|
45
|
-
excludeTypes: PD.MultiSelect<"computed" | "
|
|
47
|
+
includeTypes: PD.MultiSelect<"covalent" | "computed" | "aromatic" | "metal-coordination" | "hydrogen-bond" | "disulfide">;
|
|
48
|
+
excludeTypes: PD.MultiSelect<"covalent" | "computed" | "aromatic" | "metal-coordination" | "hydrogen-bond" | "disulfide">;
|
|
46
49
|
ignoreHydrogens: PD.BooleanParam;
|
|
47
50
|
aromaticBonds: PD.BooleanParam;
|
|
51
|
+
multipleBonds: PD.Select<"off" | "symmetric" | "offset">;
|
|
48
52
|
linkScale: PD.Numeric;
|
|
49
53
|
linkSpacing: PD.Numeric;
|
|
50
54
|
linkCap: PD.BooleanParam;
|
|
@@ -56,19 +60,21 @@ export declare const DefaultBondCylinderProps: PD.Values<{
|
|
|
56
60
|
}>;
|
|
57
61
|
export declare type BondCylinderProps = typeof DefaultBondCylinderProps;
|
|
58
62
|
export declare const BondLineParams: {
|
|
59
|
-
includeTypes: PD.MultiSelect<"computed" | "
|
|
60
|
-
excludeTypes: PD.MultiSelect<"computed" | "
|
|
63
|
+
includeTypes: PD.MultiSelect<"covalent" | "computed" | "aromatic" | "metal-coordination" | "hydrogen-bond" | "disulfide">;
|
|
64
|
+
excludeTypes: PD.MultiSelect<"covalent" | "computed" | "aromatic" | "metal-coordination" | "hydrogen-bond" | "disulfide">;
|
|
61
65
|
ignoreHydrogens: PD.BooleanParam;
|
|
62
66
|
aromaticBonds: PD.BooleanParam;
|
|
67
|
+
multipleBonds: PD.Select<"off" | "symmetric" | "offset">;
|
|
63
68
|
linkScale: PD.Numeric;
|
|
64
69
|
linkSpacing: PD.Numeric;
|
|
65
70
|
dashCount: PD.Numeric;
|
|
66
71
|
};
|
|
67
72
|
export declare const DefaultBondLineProps: PD.Values<{
|
|
68
|
-
includeTypes: PD.MultiSelect<"computed" | "
|
|
69
|
-
excludeTypes: PD.MultiSelect<"computed" | "
|
|
73
|
+
includeTypes: PD.MultiSelect<"covalent" | "computed" | "aromatic" | "metal-coordination" | "hydrogen-bond" | "disulfide">;
|
|
74
|
+
excludeTypes: PD.MultiSelect<"covalent" | "computed" | "aromatic" | "metal-coordination" | "hydrogen-bond" | "disulfide">;
|
|
70
75
|
ignoreHydrogens: PD.BooleanParam;
|
|
71
76
|
aromaticBonds: PD.BooleanParam;
|
|
77
|
+
multipleBonds: PD.Select<"off" | "symmetric" | "offset">;
|
|
72
78
|
linkScale: PD.Numeric;
|
|
73
79
|
linkSpacing: PD.Numeric;
|
|
74
80
|
dashCount: PD.Numeric;
|
|
@@ -81,11 +87,11 @@ export declare namespace BondIterator {
|
|
|
81
87
|
function fromGroup(structureGroup: StructureGroup): LocationIterator;
|
|
82
88
|
function fromStructure(structure: Structure): LocationIterator;
|
|
83
89
|
}
|
|
84
|
-
export declare function getIntraBondLoci(pickingId: PickingId, structureGroup: StructureGroup, id: number): {
|
|
90
|
+
export declare function getIntraBondLoci(pickingId: PickingId, structureGroup: StructureGroup, id: number): Bond.Loci | {
|
|
85
91
|
kind: "empty-loci";
|
|
86
|
-
}
|
|
92
|
+
};
|
|
87
93
|
export declare function eachIntraBond(loci: Loci, structureGroup: StructureGroup, apply: (interval: Interval) => boolean, isMarking: boolean): boolean;
|
|
88
|
-
export declare function getInterBondLoci(pickingId: PickingId, structure: Structure, id: number): {
|
|
94
|
+
export declare function getInterBondLoci(pickingId: PickingId, structure: Structure, id: number): Bond.Loci | {
|
|
89
95
|
kind: "empty-loci";
|
|
90
|
-
}
|
|
96
|
+
};
|
|
91
97
|
export declare function eachInterBond(loci: Loci, structure: Structure, apply: (interval: Interval) => boolean, isMarking: boolean): boolean;
|
|
@@ -21,6 +21,7 @@ exports.BondParams = {
|
|
|
21
21
|
excludeTypes: param_definition_1.ParamDefinition.MultiSelect([], param_definition_1.ParamDefinition.objectToOptions(types_1.BondType.Names)),
|
|
22
22
|
ignoreHydrogens: param_definition_1.ParamDefinition.Boolean(false),
|
|
23
23
|
aromaticBonds: param_definition_1.ParamDefinition.Boolean(false, { description: 'Display aromatic bonds with dashes' }),
|
|
24
|
+
multipleBonds: param_definition_1.ParamDefinition.Select('symmetric', param_definition_1.ParamDefinition.arrayToOptions(['off', 'symmetric', 'offset'])),
|
|
24
25
|
};
|
|
25
26
|
exports.DefaultBondProps = param_definition_1.ParamDefinition.getDefaultValues(exports.BondParams);
|
|
26
27
|
exports.BondCylinderParams = (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, link_1.LinkCylinderParams), exports.BondParams), { adjustCylinderLength: param_definition_1.ParamDefinition.Boolean(true, { description: 'Shorten cylinders to reduce overlap with spheres.' }) });
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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+
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@@ -10,10 +10,10 @@ import { Texture } from '../../../../mol-gl/webgl/texture';
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10
10
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import { Theme } from '../../../../mol-theme/theme';
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import { ParamDefinition as PD } from '../../../../mol-util/param-definition';
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export declare const ColorSmoothingParams: {
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-
smoothColors: PD.Mapped<PD.NamedParams<PD.Normalize<unknown>, "
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+
smoothColors: PD.Mapped<PD.NamedParams<PD.Normalize<unknown>, "auto"> | PD.NamedParams<PD.Normalize<{
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resolutionFactor: number;
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sampleStride: number;
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-
}>, "on">>;
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+
}>, "on"> | PD.NamedParams<PD.Normalize<unknown>, "off">>;
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};
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export declare type ColorSmoothingParams = typeof ColorSmoothingParams;
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export declare function getColorSmoothingProps(props: PD.Values<ColorSmoothingParams>, theme: Theme, resolution?: number): {
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@@ -29,13 +29,13 @@ export declare type ElementSphereImpostorProps = {
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} & ElementProps;
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export declare function createElementSphereImpostor(ctx: VisualContext, unit: Unit, structure: Structure, theme: Theme, props: ElementSphereImpostorProps, spheres?: Spheres): Spheres;
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export declare function eachElement(loci: Loci, structureGroup: StructureGroup, apply: (interval: Interval) => boolean): boolean;
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-
export declare function getElementLoci(pickingId: PickingId, structureGroup: StructureGroup, id: number): {
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+
export declare function getElementLoci(pickingId: PickingId, structureGroup: StructureGroup, id: number): StructureElement.Loci | {
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kind: "empty-loci";
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34
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-
}
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+
};
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export declare function eachSerialElement(loci: Loci, structure: Structure, apply: (interval: Interval) => boolean): boolean;
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-
export declare function getSerialElementLoci(pickingId: PickingId, structure: Structure, id: number): {
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+
export declare function getSerialElementLoci(pickingId: PickingId, structure: Structure, id: number): StructureElement.Loci | {
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kind: "empty-loci";
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-
}
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+
};
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export declare namespace ElementIterator {
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function fromGroup(structureGroup: StructureGroup): LocationIterator;
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function fromStructure(structure: Structure): LocationIterator;
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@@ -56,10 +56,12 @@ export declare const enum LinkStyle {
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Solid = 0,
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Dashed = 1,
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Double = 2,
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-
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-
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-
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OffsetDouble = 3,
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Triple = 4,
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OffsetTriple = 5,
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Disk = 6,
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Aromatic = 7,
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MirroredAromatic = 8
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}
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/**
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* Each edge is included twice to allow for coloring/picking
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@@ -95,12 +95,14 @@ function createLinkCylinderMesh(ctx, linkBuilder, props, mesh) {
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continue;
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position(va, vb, edgeIndex);
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v3sub(tmpV12, vb, va);
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98
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+
var dirFlag = v3dot(tmpV12, up) > 0;
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var linkRadius = radius(edgeIndex);
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var linkStyle = style ? style(edgeIndex) : 0 /* Solid */;
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var linkStub = stubCap && (stub ? stub(edgeIndex) : false);
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var _a =
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+
var _a = dirFlag ? [linkStub, linkCap] : [linkCap, linkStub], topCap = _a[0], bottomCap = _a[1];
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builderState.currentGroup = edgeIndex;
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var aromaticOffsetFactor =
|
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+
var aromaticOffsetFactor = 5.5;
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+
var multipleOffsetFactor = 4;
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if (linkStyle === 0 /* Solid */) {
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105
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|
cylinderProps.radiusTop = cylinderProps.radiusBottom = linkRadius;
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cylinderProps.topCap = topCap;
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@@ -112,15 +114,15 @@ function createLinkCylinderMesh(ctx, linkBuilder, props, mesh) {
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112
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cylinderProps.topCap = cylinderProps.bottomCap = dashCap;
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(0, cylinder_1.addFixedCountDashedCylinder)(builderState, va, vb, 0.5, segmentCount, cylinderProps);
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}
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115
|
-
else if (linkStyle === 2 /* Double */ || linkStyle === 3 /* Triple */ || linkStyle === 5 /* Aromatic */ || linkStyle ===
|
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116
|
-
var order = linkStyle === 2 /* Double */ ? 2 :
|
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117
|
-
linkStyle ===
|
|
117
|
+
else if (linkStyle === 2 /* Double */ || linkStyle === 3 /* OffsetDouble */ || linkStyle === 4 /* Triple */ || linkStyle === 5 /* OffsetTriple */ || linkStyle === 7 /* Aromatic */ || linkStyle === 8 /* MirroredAromatic */) {
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118
|
+
var order = linkStyle === 2 /* Double */ || linkStyle === 3 /* OffsetDouble */ ? 2 :
|
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119
|
+
linkStyle === 4 /* Triple */ || linkStyle === 5 /* OffsetTriple */ ? 3 : 1.5;
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var multiRadius = linkRadius * (linkScale / (0.5 * order));
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var absOffset = (linkRadius - multiRadius) * linkSpacing;
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calculateShiftDir(vShift, va, vb, referencePosition ? referencePosition(edgeIndex) : null);
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|
cylinderProps.topCap = topCap;
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|
cylinderProps.bottomCap = bottomCap;
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123
|
-
if (linkStyle ===
|
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125
|
+
if (linkStyle === 7 /* Aromatic */ || linkStyle === 8 /* MirroredAromatic */) {
|
|
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126
|
cylinderProps.radiusTop = cylinderProps.radiusBottom = linkRadius;
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|
(0, cylinder_1.addCylinder)(builderState, va, vb, 0.5, cylinderProps);
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|
cylinderProps.radiusTop = cylinderProps.radiusBottom = linkRadius * linkScale;
|
|
@@ -129,13 +131,34 @@ function createLinkCylinderMesh(ctx, linkBuilder, props, mesh) {
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129
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|
v3sub(va, va, vShift);
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|
v3sub(vb, vb, vShift);
|
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|
(0, cylinder_1.addFixedCountDashedCylinder)(builderState, va, vb, 0.5, 3, cylinderProps);
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|
-
if (linkStyle ===
|
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|
+
if (linkStyle === 8 /* 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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(0, cylinder_1.addFixedCountDashedCylinder)(builderState, va, vb, 0.5, 3, cylinderProps);
|
|
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139
|
}
|
|
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140
|
}
|
|
141
|
+
else if (linkStyle === 3 /* OffsetDouble */ || linkStyle === 5 /* OffsetTriple */) {
|
|
142
|
+
v3setMagnitude(vShift, vShift, absOffset);
|
|
143
|
+
cylinderProps.radiusTop = cylinderProps.radiusBottom = linkRadius;
|
|
144
|
+
(0, cylinder_1.addCylinder)(builderState, va, vb, 0.5, cylinderProps);
|
|
145
|
+
v3scale(tmpV12, tmpV12, linkSpacing * linkScale * 0.2);
|
|
146
|
+
v3add(va, va, tmpV12);
|
|
147
|
+
v3sub(vb, vb, tmpV12);
|
|
148
|
+
cylinderProps.radiusTop = cylinderProps.radiusBottom = multiRadius;
|
|
149
|
+
cylinderProps.topCap = dirFlag ? linkStub : dashCap;
|
|
150
|
+
cylinderProps.bottomCap = dirFlag ? dashCap : linkStub;
|
|
151
|
+
v3setMagnitude(vShift, vShift, absOffset * multipleOffsetFactor);
|
|
152
|
+
v3sub(va, va, vShift);
|
|
153
|
+
v3sub(vb, vb, vShift);
|
|
154
|
+
(0, cylinder_1.addCylinder)(builderState, va, vb, 0.5, cylinderProps);
|
|
155
|
+
if (order === 3) {
|
|
156
|
+
v3setMagnitude(vShift, vShift, absOffset * multipleOffsetFactor * 2);
|
|
157
|
+
v3add(va, va, vShift);
|
|
158
|
+
v3add(vb, vb, vShift);
|
|
159
|
+
(0, cylinder_1.addCylinder)(builderState, va, vb, 0.5, cylinderProps);
|
|
160
|
+
}
|
|
161
|
+
}
|
|
139
162
|
else {
|
|
140
163
|
v3setMagnitude(vShift, vShift, absOffset);
|
|
141
164
|
cylinderProps.radiusTop = cylinderProps.radiusBottom = multiRadius;
|
|
@@ -144,7 +167,7 @@ function createLinkCylinderMesh(ctx, linkBuilder, props, mesh) {
|
|
|
144
167
|
(0, cylinder_1.addDoubleCylinder)(builderState, va, vb, 0.5, vShift, cylinderProps);
|
|
145
168
|
}
|
|
146
169
|
}
|
|
147
|
-
else if (linkStyle ===
|
|
170
|
+
else if (linkStyle === 6 /* Disk */) {
|
|
148
171
|
v3scale(tmpV12, tmpV12, 0.475);
|
|
149
172
|
v3add(va, va, tmpV12);
|
|
150
173
|
v3sub(vb, vb, tmpV12);
|
|
@@ -177,7 +200,8 @@ function createLinkCylinderImpostors(ctx, linkBuilder, props, cylinders) {
|
|
|
177
200
|
var lengthScale = 0.5 - (0.5 / 2 / segmentCount);
|
|
178
201
|
var aromaticSegmentCount = 3;
|
|
179
202
|
var aromaticLengthScale = 0.5 - (0.5 / 2 / aromaticSegmentCount);
|
|
180
|
-
var aromaticOffsetFactor =
|
|
203
|
+
var aromaticOffsetFactor = 5.5;
|
|
204
|
+
var multipleOffsetFactor = 4;
|
|
181
205
|
for (var edgeIndex = 0, _eI = linkCount; edgeIndex < _eI; ++edgeIndex) {
|
|
182
206
|
if (ignore && ignore(edgeIndex))
|
|
183
207
|
continue;
|
|
@@ -194,14 +218,14 @@ function createLinkCylinderImpostors(ctx, linkBuilder, props, cylinders) {
|
|
|
194
218
|
v3sub(vb, vb, tmpV12);
|
|
195
219
|
builder.addFixedCountDashes(va, vb, segmentCount, dashScale, dashCap, dashCap, edgeIndex);
|
|
196
220
|
}
|
|
197
|
-
else if (linkStyle === 2 /* Double */ || linkStyle === 3 /* Triple */ || linkStyle === 5 /* Aromatic */ || linkStyle ===
|
|
198
|
-
var order = linkStyle === 2 /* Double */ ? 2 :
|
|
199
|
-
linkStyle ===
|
|
221
|
+
else if (linkStyle === 2 /* Double */ || linkStyle === 3 /* OffsetDouble */ || linkStyle === 4 /* Triple */ || linkStyle === 5 /* OffsetTriple */ || linkStyle === 7 /* Aromatic */ || linkStyle === 8 /* MirroredAromatic */) {
|
|
222
|
+
var order = linkStyle === 2 /* Double */ || linkStyle === 3 /* OffsetDouble */ ? 2 :
|
|
223
|
+
linkStyle === 4 /* Triple */ || linkStyle === 5 /* OffsetTriple */ ? 3 : 1.5;
|
|
200
224
|
var multiScale = linkScale / (0.5 * order);
|
|
201
225
|
var absOffset = (linkRadius - multiScale * linkRadius) * linkSpacing;
|
|
202
226
|
v3scale(vm, v3add(vm, va, vb), 0.5);
|
|
203
227
|
calculateShiftDir(vShift, va, vb, referencePosition ? referencePosition(edgeIndex) : null);
|
|
204
|
-
if (linkStyle ===
|
|
228
|
+
if (linkStyle === 7 /* Aromatic */ || linkStyle === 8 /* MirroredAromatic */) {
|
|
205
229
|
builder.add(va[0], va[1], va[2], vm[0], vm[1], vm[2], 1, linkCap, linkStub, edgeIndex);
|
|
206
230
|
v3scale(tmpV12, v3sub(tmpV12, vb, va), aromaticLengthScale);
|
|
207
231
|
v3sub(vb, vb, tmpV12);
|
|
@@ -209,22 +233,31 @@ function createLinkCylinderImpostors(ctx, linkBuilder, props, cylinders) {
|
|
|
209
233
|
v3sub(va, va, vShift);
|
|
210
234
|
v3sub(vb, vb, vShift);
|
|
211
235
|
builder.addFixedCountDashes(va, vb, aromaticSegmentCount, linkScale, dashCap, dashCap, edgeIndex);
|
|
212
|
-
if (linkStyle ===
|
|
236
|
+
if (linkStyle === 8 /* MirroredAromatic */) {
|
|
213
237
|
v3setMagnitude(vShift, vShift, absOffset * aromaticOffsetFactor * 2);
|
|
214
238
|
v3add(va, va, vShift);
|
|
215
239
|
v3add(vb, vb, vShift);
|
|
216
240
|
builder.addFixedCountDashes(va, vb, aromaticSegmentCount, linkScale, dashCap, dashCap, edgeIndex);
|
|
217
241
|
}
|
|
218
242
|
}
|
|
243
|
+
else if (linkStyle === 3 /* OffsetDouble */ || linkStyle === 5 /* OffsetTriple */) {
|
|
244
|
+
v3setMagnitude(vShift, vShift, absOffset * multipleOffsetFactor);
|
|
245
|
+
builder.add(va[0], va[1], va[2], vm[0], vm[1], vm[2], 1, linkCap, linkStub, edgeIndex);
|
|
246
|
+
v3scale(tmpV12, v3sub(tmpV12, va, vb), linkSpacing * linkScale * 0.2);
|
|
247
|
+
v3sub(va, va, tmpV12);
|
|
248
|
+
if (order === 3)
|
|
249
|
+
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);
|
|
250
|
+
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, dashCap, linkStub, edgeIndex);
|
|
251
|
+
}
|
|
219
252
|
else {
|
|
220
253
|
v3setMagnitude(vShift, vShift, absOffset);
|
|
221
254
|
if (order === 3)
|
|
222
|
-
builder.add(va[0], va[1], va[2], vm[0], vm[1], vm[2], multiScale, linkCap,
|
|
255
|
+
builder.add(va[0], va[1], va[2], vm[0], vm[1], vm[2], multiScale, linkCap, linkStub, edgeIndex);
|
|
223
256
|
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);
|
|
224
257
|
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);
|
|
225
258
|
}
|
|
226
259
|
}
|
|
227
|
-
else if (linkStyle ===
|
|
260
|
+
else if (linkStyle === 6 /* Disk */) {
|
|
228
261
|
v3scale(tmpV12, v3sub(tmpV12, vb, va), 0.475);
|
|
229
262
|
v3add(va, va, tmpV12);
|
|
230
263
|
v3sub(vb, vb, tmpV12);
|
|
@@ -255,6 +288,7 @@ function createLinkLines(ctx, linkBuilder, props, lines) {
|
|
|
255
288
|
var aromaticSegmentCount = 3;
|
|
256
289
|
var aromaticLengthScale = 0.5 - (0.5 / 2 / aromaticSegmentCount);
|
|
257
290
|
var aromaticOffsetFactor = 4.5;
|
|
291
|
+
var multipleOffsetFactor = 3;
|
|
258
292
|
for (var edgeIndex = 0, _eI = linkCount; edgeIndex < _eI; ++edgeIndex) {
|
|
259
293
|
if (ignore && ignore(edgeIndex))
|
|
260
294
|
continue;
|
|
@@ -269,14 +303,14 @@ function createLinkLines(ctx, linkBuilder, props, lines) {
|
|
|
269
303
|
v3sub(vb, vb, tmpV12);
|
|
270
304
|
builder.addFixedCountDashes(va, vb, segmentCount, edgeIndex);
|
|
271
305
|
}
|
|
272
|
-
else if (linkStyle === 2 /* Double */ || linkStyle === 3 /* Triple */ || linkStyle === 5 /* Aromatic */ || linkStyle ===
|
|
273
|
-
var order = linkStyle === 2 /* Double */ ? 2 :
|
|
274
|
-
linkStyle ===
|
|
306
|
+
else if (linkStyle === 2 /* Double */ || linkStyle === 3 /* OffsetDouble */ || linkStyle === 4 /* Triple */ || linkStyle === 5 /* OffsetTriple */ || linkStyle === 7 /* Aromatic */ || linkStyle === 8 /* MirroredAromatic */) {
|
|
307
|
+
var order = linkStyle === 2 /* Double */ || linkStyle === 3 /* OffsetDouble */ ? 2 :
|
|
308
|
+
linkStyle === 4 /* Triple */ || linkStyle === 5 /* OffsetTriple */ ? 3 : 1.5;
|
|
275
309
|
var multiRadius = 1 * (linkScale / (0.5 * order));
|
|
276
310
|
var absOffset = (1 - multiRadius) * linkSpacing;
|
|
277
311
|
v3scale(vm, v3add(vm, va, vb), 0.5);
|
|
278
312
|
calculateShiftDir(vShift, va, vb, referencePosition ? referencePosition(edgeIndex) : null);
|
|
279
|
-
if (linkStyle ===
|
|
313
|
+
if (linkStyle === 7 /* Aromatic */ || linkStyle === 8 /* MirroredAromatic */) {
|
|
280
314
|
builder.add(va[0], va[1], va[2], vm[0], vm[1], vm[2], edgeIndex);
|
|
281
315
|
v3scale(tmpV12, v3sub(tmpV12, vb, va), aromaticLengthScale);
|
|
282
316
|
v3sub(vb, vb, tmpV12);
|
|
@@ -284,22 +318,31 @@ function createLinkLines(ctx, linkBuilder, props, lines) {
|
|
|
284
318
|
v3sub(va, va, vShift);
|
|
285
319
|
v3sub(vb, vb, vShift);
|
|
286
320
|
builder.addFixedCountDashes(va, vb, aromaticSegmentCount, edgeIndex);
|
|
287
|
-
if (linkStyle ===
|
|
321
|
+
if (linkStyle === 8 /* MirroredAromatic */) {
|
|
288
322
|
v3setMagnitude(vShift, vShift, absOffset * aromaticOffsetFactor * 2);
|
|
289
323
|
v3add(va, va, vShift);
|
|
290
324
|
v3add(vb, vb, vShift);
|
|
291
325
|
builder.addFixedCountDashes(va, vb, aromaticSegmentCount, edgeIndex);
|
|
292
326
|
}
|
|
293
327
|
}
|
|
328
|
+
else if (linkStyle === 3 /* OffsetDouble */ || linkStyle === 5 /* OffsetTriple */) {
|
|
329
|
+
v3setMagnitude(vShift, vShift, absOffset * multipleOffsetFactor);
|
|
330
|
+
builder.add(va[0], va[1], va[2], vm[0], vm[1], vm[2], edgeIndex);
|
|
331
|
+
v3scale(tmpV12, v3sub(tmpV12, va, vb), linkSpacing * linkScale);
|
|
332
|
+
v3sub(va, va, tmpV12);
|
|
333
|
+
if (order === 3)
|
|
334
|
+
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);
|
|
335
|
+
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);
|
|
336
|
+
}
|
|
294
337
|
else {
|
|
295
|
-
v3setMagnitude(vShift, vShift, absOffset);
|
|
338
|
+
v3setMagnitude(vShift, vShift, absOffset * 1.5);
|
|
296
339
|
if (order === 3)
|
|
297
340
|
builder.add(va[0], va[1], va[2], vm[0], vm[1], vm[2], edgeIndex);
|
|
298
341
|
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);
|
|
299
342
|
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);
|
|
300
343
|
}
|
|
301
344
|
}
|
|
302
|
-
else if (linkStyle ===
|
|
345
|
+
else if (linkStyle === 6 /* Disk */) {
|
|
303
346
|
v3scale(tmpV12, v3sub(tmpV12, vb, va), 0.475);
|
|
304
347
|
v3add(va, va, tmpV12);
|
|
305
348
|
v3sub(vb, vb, tmpV12);
|