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) 2017-
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* Copyright (c) 2017-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
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/** Project `point` onto `vector` starting from `origin` */
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1
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@@ -1,5 +1,5 @@
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1
1
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/**
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2
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-
* Copyright (c) 2018-
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2
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+
* Copyright (c) 2018-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
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3
3
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*
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4
4
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* @author Alexander Rose <alexander.rose@weirdbyte.de>
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5
5
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*/
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@@ -12,3 +12,5 @@ export declare function isPowerOfTwo(x: number): boolean;
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12
12
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export declare function absMax(...values: number[]): number;
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13
13
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/** Length of an arc with angle in radians */
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14
14
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export declare function arcLength(angle: number, radius: number): number;
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15
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+
/** Create an outward spiral of given `radius` on a 2d grid */
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16
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+
export declare function spiral2d(radius: number): [number, number][];
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"use strict";
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/**
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* Copyright (c) 2018-
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* Copyright (c) 2018-2021 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.arcLength = exports.absMax = exports.isPowerOfTwo = exports.radToDeg = exports.degToRad = exports.PiDiv180 = exports.halfPI = void 0;
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exports.spiral2d = exports.arcLength = exports.absMax = exports.isPowerOfTwo = exports.radToDeg = exports.degToRad = exports.PiDiv180 = exports.halfPI = void 0;
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exports.halfPI = Math.PI / 2;
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exports.PiDiv180 = Math.PI / 180;
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function degToRad(deg) {
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@@ -44,4 +44,26 @@ function arcLength(angle, radius) {
|
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44
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return angle * radius;
|
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}
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46
|
exports.arcLength = arcLength;
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/** Create an outward spiral of given `radius` on a 2d grid */
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48
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+
function spiral2d(radius) {
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var _a;
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var x = 0;
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var y = 0;
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var delta = [0, -1];
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var size = radius * 2 + 1;
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var halfSize = size / 2;
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var out = [];
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+
for (var i = Math.pow(size, 2); i > 0; --i) {
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if ((-halfSize < x && x <= halfSize) && (-halfSize < y && y <= halfSize)) {
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out.push([x, y]);
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}
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if (x === y || (x < 0 && x === -y) || (x > 0 && x === 1 - y)) {
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_a = [-delta[1], delta[0]], delta[0] = _a[0], delta[1] = _a[1]; // change direction
|
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}
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x += delta[0];
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y += delta[1];
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}
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return out;
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}
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exports.spiral2d = spiral2d;
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//# sourceMappingURL=misc.js.map
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1
|
+
{"version":3,"file":"misc.js","sourceRoot":"","sources":["../../../src/mol-math/misc.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;AAEU,QAAA,MAAM,GAAG,IAAI,CAAC,EAAE,GAAG,CAAC,CAAC;AACrB,QAAA,QAAQ,GAAG,IAAI,CAAC,EAAE,GAAG,GAAG,CAAC;AAEtC,SAAgB,QAAQ,CAAC,GAAW;IAChC,OAAO,GAAG,GAAG,gBAAQ,CAAC,CAAC,sBAAsB;AACjD,CAAC;AAFD,4BAEC;AAED,SAAgB,QAAQ,CAAC,GAAW;IAChC,OAAO,GAAG,GAAG,gBAAQ,CAAC,CAAC,sBAAsB;AACjD,CAAC;AAFD,4BAEC;AAED,SAAgB,YAAY,CAAC,CAAS;IAClC,OAAO,CAAC,CAAC,KAAK,CAAC,CAAC,IAAI,CAAC,CAAC,GAAG,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,KAAK,CAAC,CAAC;AAC5C,CAAC;AAFD,oCAEC;AAED,2DAA2D;AAC3D,SAAgB,MAAM;IAAC,gBAAmB;SAAnB,UAAmB,EAAnB,qBAAmB,EAAnB,IAAmB;QAAnB,2BAAmB;;IACtC,IAAI,GAAG,GAAG,CAAC,CAAC;IACZ,IAAI,MAAM,GAAG,CAAC,CAAC;IACf,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,MAAM,CAAC,MAAM,EAAE,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,EAAE;QAC7C,IAAM,KAAK,GAAG,MAAM,CAAC,CAAC,CAAC,CAAC;QACxB,IAAM,GAAG,GAAG,IAAI,CAAC,GAAG,CAAC,KAAK,CAAC,CAAC;QAC5B,IAAI,GAAG,GAAG,MAAM,EAAE;YACd,GAAG,GAAG,KAAK,CAAC;YACZ,MAAM,GAAG,GAAG,CAAC;SAChB;KACJ;IACD,OAAO,GAAG,CAAC;AACf,CAAC;AAZD,wBAYC;AAED,6CAA6C;AAC7C,SAAgB,SAAS,CAAC,KAAa,EAAE,MAAc;IACnD,OAAO,KAAK,GAAG,MAAM,CAAC;AAC1B,CAAC;AAFD,8BAEC;AAED,8DAA8D;AAC9D,SAAgB,QAAQ,CAAC,MAAc;;IACnC,IAAI,CAAC,GAAG,CAAC,CAAC;IACV,IAAI,CAAC,GAAG,CAAC,CAAC;IACV,IAAM,KAAK,GAAG,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC;IACtB,IAAM,IAAI,GAAG,MAAM,GAAG,CAAC,GAAG,CAAC,CAAC;IAC5B,IAAM,QAAQ,GAAG,IAAI,GAAG,CAAC,CAAC;IAC1B,IAAM,GAAG,GAAuB,EAAE,CAAC;IAEnC,KAAK,IAAI,CAAC,GAAG,IAAI,CAAC,GAAG,CAAC,IAAI,EAAE,CAAC,CAAC,EAAE,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC,EAAE;QACxC,IAAI,CAAC,CAAC,QAAQ,GAAG,CAAC,IAAI,CAAC,IAAI,QAAQ,CAAC,IAAI,CAAC,CAAC,QAAQ,GAAG,CAAC,IAAI,CAAC,IAAI,QAAQ,CAAC,EAAE;YACtE,GAAG,CAAC,IAAI,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC;SACpB;QAED,IAAI,CAAC,KAAK,CAAC,IAAI,CAAC,CAAC,GAAG,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,GAAG,CAAC,IAAI,CAAC,KAAK,CAAC,GAAG,CAAC,CAAC,EAAE;YAC1D,KAAuB,CAAC,CAAC,KAAK,CAAC,CAAC,CAAC,EAAE,KAAK,CAAC,CAAC,CAAC,CAAC,EAA3C,KAAK,CAAC,CAAC,CAAC,QAAA,EAAE,KAAK,CAAC,CAAC,CAAC,QAAA,CAA0B,CAAC,mBAAmB;SACpE;QAED,CAAC,IAAI,KAAK,CAAC,CAAC,CAAC,CAAC;QACd,CAAC,IAAI,KAAK,CAAC,CAAC,CAAC,CAAC;KACjB;IACD,OAAO,GAAG,CAAC;AACf,CAAC;AArBD,4BAqBC"}
|
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@@ -1,5 +1,5 @@
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1
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/**
|
|
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|
-
* Copyright (c) 2018-
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|
+
* Copyright (c) 2018-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
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|
3
3
|
*
|
|
4
4
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
5
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|
*/
|
|
@@ -54,61 +54,61 @@ declare namespace Loci {
|
|
|
54
54
|
export function getPrincipalAxes(loci: Loci): PrincipalAxes | undefined;
|
|
55
55
|
const Granularity: {
|
|
56
56
|
element: (loci: Loci) => Loci;
|
|
57
|
-
residue: (loci: Loci) =>
|
|
58
|
-
kind: "empty-loci";
|
|
59
|
-
} | StructureElement.Loci | Structure.Loci | Bond.Loci | {
|
|
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|
+
residue: (loci: Loci) => StructureElement.Loci | Structure.Loci | Bond.Loci | {
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|
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|
kind: "every-loci";
|
|
61
|
-
} |
|
|
62
|
-
chain: (loci: Loci) => Volume.Isosurface.Loci | Volume.Loci | Volume.Cell.Loci | {
|
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|
+
} | {
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|
63
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kind: "empty-loci";
|
|
64
|
-
} |
|
|
61
|
+
} | DataLoci<unknown, unknown> | Shape.Loci | ShapeGroup.Loci | Volume.Loci | Volume.Isosurface.Loci | Volume.Cell.Loci;
|
|
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|
+
chain: (loci: Loci) => StructureElement.Loci | Structure.Loci | Bond.Loci | {
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65
63
|
kind: "every-loci";
|
|
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|
-
} |
|
|
67
|
-
entity: (loci: Loci) => Volume.Isosurface.Loci | Volume.Loci | Volume.Cell.Loci | {
|
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|
+
} | {
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68
65
|
kind: "empty-loci";
|
|
69
|
-
} |
|
|
66
|
+
} | DataLoci<unknown, unknown> | Shape.Loci | ShapeGroup.Loci | Volume.Loci | Volume.Isosurface.Loci | Volume.Cell.Loci;
|
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67
|
+
entity: (loci: Loci) => StructureElement.Loci | Structure.Loci | Bond.Loci | {
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|
70
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|
kind: "every-loci";
|
|
71
|
-
} |
|
|
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|
-
model: (loci: Loci) => Volume.Isosurface.Loci | Volume.Loci | Volume.Cell.Loci | {
|
|
69
|
+
} | {
|
|
73
70
|
kind: "empty-loci";
|
|
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|
-
} |
|
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|
+
} | DataLoci<unknown, unknown> | Shape.Loci | ShapeGroup.Loci | Volume.Loci | Volume.Isosurface.Loci | Volume.Cell.Loci;
|
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|
+
model: (loci: Loci) => StructureElement.Loci | Structure.Loci | Bond.Loci | {
|
|
75
73
|
kind: "every-loci";
|
|
76
|
-
} |
|
|
77
|
-
operator: (loci: Loci) => Volume.Isosurface.Loci | Volume.Loci | Volume.Cell.Loci | {
|
|
74
|
+
} | {
|
|
78
75
|
kind: "empty-loci";
|
|
79
|
-
} |
|
|
76
|
+
} | DataLoci<unknown, unknown> | Shape.Loci | ShapeGroup.Loci | Volume.Loci | Volume.Isosurface.Loci | Volume.Cell.Loci;
|
|
77
|
+
operator: (loci: Loci) => StructureElement.Loci | Structure.Loci | Bond.Loci | {
|
|
80
78
|
kind: "every-loci";
|
|
81
|
-
} |
|
|
82
|
-
structure: (loci: Loci) => Volume.Isosurface.Loci | Volume.Loci | Volume.Cell.Loci | {
|
|
79
|
+
} | {
|
|
83
80
|
kind: "empty-loci";
|
|
84
|
-
} |
|
|
81
|
+
} | DataLoci<unknown, unknown> | Shape.Loci | ShapeGroup.Loci | Volume.Loci | Volume.Isosurface.Loci | Volume.Cell.Loci;
|
|
82
|
+
structure: (loci: Loci) => StructureElement.Loci | Structure.Loci | Bond.Loci | {
|
|
85
83
|
kind: "every-loci";
|
|
86
|
-
} |
|
|
87
|
-
elementInstances: (loci: Loci) => Volume.Isosurface.Loci | Volume.Loci | Volume.Cell.Loci | {
|
|
84
|
+
} | {
|
|
88
85
|
kind: "empty-loci";
|
|
89
|
-
} |
|
|
86
|
+
} | DataLoci<unknown, unknown> | Shape.Loci | Volume.Loci | Volume.Isosurface.Loci | Volume.Cell.Loci;
|
|
87
|
+
elementInstances: (loci: Loci) => StructureElement.Loci | Structure.Loci | Bond.Loci | {
|
|
90
88
|
kind: "every-loci";
|
|
91
|
-
} |
|
|
92
|
-
residueInstances: (loci: Loci) => Volume.Isosurface.Loci | Volume.Loci | Volume.Cell.Loci | {
|
|
89
|
+
} | {
|
|
93
90
|
kind: "empty-loci";
|
|
94
|
-
} |
|
|
91
|
+
} | DataLoci<unknown, unknown> | Shape.Loci | ShapeGroup.Loci | Volume.Loci | Volume.Isosurface.Loci | Volume.Cell.Loci;
|
|
92
|
+
residueInstances: (loci: Loci) => StructureElement.Loci | Structure.Loci | Bond.Loci | {
|
|
95
93
|
kind: "every-loci";
|
|
96
|
-
} |
|
|
97
|
-
chainInstances: (loci: Loci) => Volume.Isosurface.Loci | Volume.Loci | Volume.Cell.Loci | {
|
|
94
|
+
} | {
|
|
98
95
|
kind: "empty-loci";
|
|
99
|
-
} |
|
|
96
|
+
} | DataLoci<unknown, unknown> | Shape.Loci | ShapeGroup.Loci | Volume.Loci | Volume.Isosurface.Loci | Volume.Cell.Loci;
|
|
97
|
+
chainInstances: (loci: Loci) => StructureElement.Loci | Structure.Loci | Bond.Loci | {
|
|
100
98
|
kind: "every-loci";
|
|
101
|
-
} |
|
|
99
|
+
} | {
|
|
100
|
+
kind: "empty-loci";
|
|
101
|
+
} | DataLoci<unknown, unknown> | Shape.Loci | ShapeGroup.Loci | Volume.Loci | Volume.Isosurface.Loci | Volume.Cell.Loci;
|
|
102
102
|
};
|
|
103
103
|
export type Granularity = keyof typeof Granularity;
|
|
104
|
-
export const GranularityOptions: ["
|
|
104
|
+
export const GranularityOptions: ["residue" | "entity" | "model" | "chain" | "element" | "structure" | "operator" | "elementInstances" | "residueInstances" | "chainInstances", string][];
|
|
105
105
|
/** Exclude `Instances` granularity kinds */
|
|
106
|
-
export function simpleGranularity(granularity: Granularity): "
|
|
106
|
+
export function simpleGranularity(granularity: Granularity): "residue" | "entity" | "model" | "chain" | "element" | "structure" | "operator" | "elementInstances" | "residueInstances" | "chainInstances";
|
|
107
107
|
export function applyGranularity(loci: Loci, granularity: Granularity): Loci;
|
|
108
108
|
/**
|
|
109
109
|
* Converts structure related loci to StructureElement.Loci and applies
|
|
110
110
|
* granularity if given
|
|
111
111
|
*/
|
|
112
|
-
export function normalize(loci: Loci, granularity?: Granularity): Loci;
|
|
112
|
+
export function normalize(loci: Loci, granularity?: Granularity, alwaysConvertBonds?: boolean): Loci;
|
|
113
113
|
export {};
|
|
114
114
|
}
|
|
@@ -1,6 +1,6 @@
|
|
|
1
1
|
"use strict";
|
|
2
2
|
/**
|
|
3
|
-
* Copyright (c) 2018-
|
|
3
|
+
* Copyright (c) 2018-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
4
4
|
*
|
|
5
5
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
6
6
|
*/
|
|
@@ -305,8 +305,9 @@ var Loci;
|
|
|
305
305
|
* Converts structure related loci to StructureElement.Loci and applies
|
|
306
306
|
* granularity if given
|
|
307
307
|
*/
|
|
308
|
-
function normalize(loci, granularity) {
|
|
309
|
-
if (
|
|
308
|
+
function normalize(loci, granularity, alwaysConvertBonds) {
|
|
309
|
+
if (alwaysConvertBonds === void 0) { alwaysConvertBonds = false; }
|
|
310
|
+
if ((granularity !== 'element' || alwaysConvertBonds) && bonds_1.Bond.isLoci(loci)) {
|
|
310
311
|
// convert Bond.Loci to a StructureElement.Loci so granularity can be applied
|
|
311
312
|
loci = bonds_1.Bond.toStructureElementLoci(loci);
|
|
312
313
|
}
|
|
@@ -1 +1 @@
|
|
|
1
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-
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1
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+
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C,oBAAoB,CAAC,4BAAgB,CAAC,IAAI,CAAC,mBAAmB,CAAC,IAAI,CAAC,CAAC;gBAC7F,CAAC,CAAC,IAAI,CAAC;QACf,CAAC;KACJ,CAAC;IAEW,uBAAkB,GAAG,kCAAe,CAAC,eAAe,CAAC,WAAW,EAAE,UAAA,CAAC;QAC5E,QAAQ,CAAC,EAAE;YACP,KAAK,SAAS,CAAC,CAAC,OAAO,qBAAqB,CAAC;YAC7C,KAAK,kBAAkB,CAAC,CAAC,OAAO,CAAC,+BAA+B,EAAE,eAAe,CAAC,CAAC;YACnF,KAAK,WAAW,CAAC,CAAC,OAAO,iBAAiB,CAAC;YAC3C,OAAO,CAAC,CAAC,OAAO,CAAC,CAAC,OAAO,CAAC,WAAW,CAAC;gBAClC,CAAC,CAAC,CAAC,IAAA,sBAAa,EAAC,CAAC,CAAC,EAAE,eAAe,CAAC,CAAC,CAAC,CAAC,IAAA,sBAAa,EAAC,CAAC,CAAC,CAAC;SAChE;IACL,CAAC,CAAC,CAAC;IAEH,4CAA4C;IAC5C,SAAgB,iBAAiB,CAAC,WAAwB;QACtD,OAAO,WAAW,CAAC,OAAO,CAAC,WAAW,EAAE,EAAE,CAAgB,CAAC;IAC/D,CAAC;IAFe,sBAAiB,oBAEhC,CAAA;IAED,SAAgB,gBAAgB,CAAC,IAAU,EAAE,WAAwB;QACjE,OAAO,WAAW,CAAC,WAAW,CAAC,CAAC,IAAI,CAAC,CAAC;IAC1C,CAAC;IAFe,qBAAgB,mBAE/B,CAAA;IAED;;;OAGG;IACH,SAAgB,SAAS,CAAC,IAAU,EAAE,WAAyB,EAAE,kBAA0B;QAA1B,mCAAA,EAAA,0BAA0B;QACvF,IAAI,CAAC,WAAW,KAAK,SAAS,IAAI,kBAAkB,CAAC,IAAI,YAAI,CAAC,MAAM,CAAC,IAAI,CAAC,EAAE;YACxE,6EAA6E;YAC7E,IAAI,GAAG,YAAI,CAAC,sBAAsB,CAAC,IAAI,CAAC,CAAC;SAC5C;QACD,IAAI,qBAAS,CAAC,MAAM,CAAC,IAAI,CAAC,EAAE;YACxB,mCAAmC;YACnC,IAAI,GAAG,qBAAS,CAAC,sBAAsB,CAAC,IAAI,CAAC,SAAS,CAAC,CAAC;SAC3D;QACD,IAAI,4BAAgB,CAAC,IAAI,CAAC,EAAE,CAAC,IAAI,CAAC,EAAE;YAChC,oCAAoC;YACpC,IAAI,GAAG,4BAAgB,CAAC,IAAI,CAAC,KAAK,CAAC,IAAI,EAAE,IAAI,CAAC,SAAS,CAAC,IAAI,CAAC,CAAC;SACjE;QACD,IAAI,WAAW,EAAE;YACb,8CAA8C;YAC9C,IAAI,GAAG,gBAAgB,CAAC,IAAI,EAAE,WAAW,CAAC,CAAC;SAC9C;QACD,OAAO,IAAI,CAAC;IAChB,CAAC;IAlBe,cAAS,YAkBxB,CAAA;AACL,CAAC,EA5OS,IAAI,KAAJ,IAAI,QA4Ob;AAhPQ,oBAAI"}
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@@ -38,7 +38,7 @@ export declare namespace Shape {
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function getTheme(shape: Shape): Theme;
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function groupIterator(shape: Shape): LocationIterator;
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function createTransform(transforms: Mat4[], transformData?: TransformData): TransformData;
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function createRenderObject<G extends Geometry>(shape: Shape<G>, props: PD.Values<Geometry.Params<G>>): import("../../mol-gl/render-object").GraphicsRenderObject<"
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function createRenderObject<G extends Geometry>(shape: Shape<G>, props: PD.Values<Geometry.Params<G>>): import("../../mol-gl/render-object").GraphicsRenderObject<"text" | "mesh" | "points" | "spheres" | "cylinders" | "lines" | "direct-volume" | "image" | "texture-mesh">;
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interface Loci {
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readonly kind: 'shape-loci';
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readonly shape: Shape;
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@@ -10,60 +10,11 @@ export declare function checkStructureMinMaxDistance(ctx: QueryContext, a: Struc
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export declare function checkStructureMaxRadiusDistance(ctx: QueryContext, a: Structure, b: Structure, maxDist: number, elementRadius: QueryFn<number>): boolean | 0;
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declare namespace MinMaxDist {
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const enum Result {
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BelowMin,
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WithinMax,
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Miss
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}
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const distVec = Vec3.zero();
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function inUnit(ctx: QueryContext, unit: Unit, p: Vec3, eRadius: number, minDist: number, maxDist: number, elementRadius: QueryFn<number>) {
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const { elements, conformation: { position } } = unit, dV = distVec;
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ctx.element.unit = unit;
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let withinRange = false;
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for (let i = 0, _i = elements.length; i < _i; i++) {
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const e = elements[i];
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ctx.element.element = e;
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const d = Math.max(0, Vec3.distance(p, position(e, dV)) - eRadius - elementRadius(ctx));
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if (d < minDist)
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return Result.BelowMin;
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if (d < maxDist)
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withinRange = true;
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}
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return withinRange ? Result.WithinMax : Result.Miss;
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}
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function toPoint(ctx: QueryContext, s: Structure, point: Vec3, radius: number, minDist: number, maxDist: number, elementRadius: QueryFn<number>) {
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const { units } = s;
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let withinRange = false;
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for (let i = 0, _i = units.length; i < _i; i++) {
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const iu = inUnit(ctx, units[i], point, radius, minDist, maxDist, elementRadius);
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if (iu === Result.BelowMin)
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return Result.BelowMin;
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if (iu === Result.WithinMax)
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withinRange = true;
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}
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return withinRange ? Result.WithinMax : Result.Miss;
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}
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const distPivot = Vec3.zero();
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function check(ctx: QueryContext, a: Structure, b: Structure, minDist: number, maxDist: number, elementRadius: QueryFn<number>) {
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if (a.elementCount === 0 || b.elementCount === 0)
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return 0;
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const { units } = a;
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let withinRange = false;
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ctx.element.structure = a;
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for (let i = 0, _i = units.length; i < _i; i++) {
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const unit = units[i];
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const { elements, conformation: { position } } = unit;
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ctx.element.unit = unit;
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for (let i = 0, _i = elements.length; i < _i; i++) {
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const e = elements[i];
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ctx.element.element = e;
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const tp = toPoint(ctx, b, position(e, distPivot), elementRadius(ctx), minDist, maxDist, elementRadius);
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if (tp === Result.BelowMin)
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return Result.BelowMin;
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62
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if (tp === Result.WithinMax)
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63
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withinRange = true;
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}
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65
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-
}
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return withinRange;
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13
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+
BelowMin = 0,
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+
WithinMax = 1,
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15
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+
Miss = 2
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67
16
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}
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+
function toPoint(ctx: QueryContext, s: Structure, point: Vec3, radius: number, minDist: number, maxDist: number, elementRadius: QueryFn<number>): Result;
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18
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+
function check(ctx: QueryContext, a: Structure, b: Structure, minDist: number, maxDist: number, elementRadius: QueryFn<number>): boolean | 0 | Result.BelowMin;
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68
19
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}
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20
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export {};
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@@ -41,7 +41,7 @@ declare const StructureProperties: {
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microheterogeneityCompIds: StructureElement.Property<string[]>;
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secondary_structure_type: StructureElement.Property<SecondaryStructureType>;
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secondary_structure_key: StructureElement.Property<number>;
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44
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-
chem_comp_type: StructureElement.Property<"
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+
chem_comp_type: StructureElement.Property<"D-peptide linking" | "L-peptide linking" | "D-peptide NH3 amino terminus" | "L-peptide NH3 amino terminus" | "D-peptide COOH carboxy terminus" | "L-peptide COOH carboxy terminus" | "DNA linking" | "RNA linking" | "L-RNA linking" | "L-DNA linking" | "DNA OH 5 prime terminus" | "RNA OH 5 prime terminus" | "DNA OH 3 prime terminus" | "RNA OH 3 prime terminus" | "D-saccharide, beta linking" | "D-saccharide, alpha linking" | "L-saccharide, beta linking" | "L-saccharide, alpha linking" | "L-saccharide" | "D-saccharide" | "saccharide" | "non-polymer" | "peptide linking" | "peptide-like" | "L-gamma-peptide, C-delta linking" | "D-gamma-peptide, C-delta linking" | "L-beta-peptide, C-gamma linking" | "D-beta-peptide, C-gamma linking" | "other" | "Ion" | "Lipid">;
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|
45
45
|
};
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46
46
|
chain: {
|
|
47
47
|
key: StructureElement.Property<import("../model").ChainIndex>;
|
|
@@ -52,7 +52,7 @@ declare const StructureProperties: {
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52
52
|
entity: {
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53
53
|
key: StructureElement.Property<import("../model").EntityIndex>;
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54
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|
id: StructureElement.Property<string>;
|
|
55
|
-
type: StructureElement.Property<"polymer" | "
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+
type: StructureElement.Property<"non-polymer" | "polymer" | "macrolide" | "water" | "branched">;
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56
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src_method: StructureElement.Property<"nat" | "man" | "syn">;
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57
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|
pdbx_description: StructureElement.Property<string[]>;
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58
58
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formula_weight: StructureElement.Property<number>;
|
|
@@ -68,7 +68,7 @@ declare const StructureProperties: {
|
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68
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id: StructureElement.Property<number>;
|
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69
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|
chainGroupId: StructureElement.Property<number>;
|
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70
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multiChain: StructureElement.Property<boolean>;
|
|
71
|
-
object_primitive: StructureElement.Property<"
|
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71
|
+
object_primitive: StructureElement.Property<"atomistic" | "sphere" | "gaussian">;
|
|
72
72
|
operator_name: StructureElement.Property<string>;
|
|
73
73
|
model_index: StructureElement.Property<number>;
|
|
74
74
|
model_label: StructureElement.Property<string>;
|
|
@@ -69,7 +69,7 @@ function findIndexPairBonds(unit) {
|
|
|
69
69
|
if ((d !== -1 && (0, common_2.equalEps)(dist, d, 0.5)) || dist < maxDistance) {
|
|
70
70
|
atomA[atomA.length] = _aI;
|
|
71
71
|
atomB[atomB.length] = _bI;
|
|
72
|
-
orders[
|
|
72
|
+
orders[orders.length] = order[i];
|
|
73
73
|
flags[flags.length] = flag[i];
|
|
74
74
|
}
|
|
75
75
|
}
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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1
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@@ -1,5 +1,5 @@
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1
1
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/**
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2
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-
* Copyright (c) 2017-
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2
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+
* Copyright (c) 2017-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
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3
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*
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4
4
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* @author David Sehnal <david.sehnal@gmail.com>
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5
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* @author Alexander Rose <alexander.rose@weirdbyte.de>
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@@ -38,6 +38,7 @@ declare namespace Bond {
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38
38
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function isLociEmpty(loci: Loci): boolean;
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39
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function remapLoci(loci: Loci, structure: Structure): Loci;
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40
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function toStructureElementLoci(loci: Loci): StructureElement.Loci;
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41
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+
function toFirstStructureElementLoci(loci: Loci): StructureElement.Loci;
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function getType(structure: Structure, location: Location<Unit.Atomic>): BondType;
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42
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function getOrder(structure: Structure, location: Location<Unit.Atomic>): number;
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43
44
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function getIntraUnitBondCount(structure: Structure): number;
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@@ -1,6 +1,6 @@
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1
1
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"use strict";
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2
2
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/**
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3
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-
* Copyright (c) 2017-
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3
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+
* Copyright (c) 2017-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
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4
4
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*
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5
5
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* @author David Sehnal <david.sehnal@gmail.com>
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6
6
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* @author Alexander Rose <alexander.rose@weirdbyte.de>
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@@ -119,6 +119,11 @@ var Bond;
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119
119
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return structure_1.StructureElement.Loci(loci.structure, elements);
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}
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Bond.toStructureElementLoci = toStructureElementLoci;
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122
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+
function toFirstStructureElementLoci(loci) {
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123
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+
var _a = loci.bonds[0], aUnit = _a.aUnit, aIndex = _a.aIndex;
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124
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+
return structure_1.StructureElement.Loci(loci.structure, [{ unit: aUnit, indices: int_1.OrderedSet.ofSingleton(aIndex) }]);
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125
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+
}
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126
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+
Bond.toFirstStructureElementLoci = toFirstStructureElementLoci;
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122
127
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function getType(structure, location) {
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123
128
|
if (location.aUnit === location.bUnit) {
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124
129
|
var bonds = location.aUnit.bonds;
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