molstar 2.3.2 → 2.3.7
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 +191 -160
- package/LICENSE +20 -20
- package/README.md +176 -176
- package/build/viewer/embedded.html +43 -43
- package/build/viewer/index.html +94 -88
- package/build/viewer/molstar.js +1 -1
- package/lib/apps/docking-viewer/index.html +36 -36
- package/lib/apps/viewer/embedded.html +43 -43
- package/lib/apps/viewer/index.d.ts +296 -5
- package/lib/apps/viewer/index.html +94 -88
- package/lib/apps/viewer/index.js +96 -6
- 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 +295 -4
- package/lib/commonjs/apps/viewer/index.js +96 -6
- 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/cli/cif2bcif/index.js +0 -0
- package/lib/commonjs/cli/cifschema/index.js +0 -0
- package/lib/commonjs/extensions/cellpack/color/generate.d.ts +1 -1
- package/lib/commonjs/extensions/cellpack/color/generate.js +1 -1
- package/lib/commonjs/extensions/cellpack/color/provided.d.ts +1 -1
- package/lib/commonjs/extensions/cellpack/color/provided.js +1 -1
- package/lib/commonjs/extensions/cellpack/curve.d.ts +2 -2
- package/lib/commonjs/extensions/cellpack/curve.js +2 -2
- package/lib/commonjs/extensions/cellpack/data.d.ts +32 -0
- package/lib/commonjs/extensions/cellpack/index.d.ts +1 -1
- package/lib/commonjs/extensions/cellpack/index.js +1 -1
- package/lib/commonjs/extensions/cellpack/model.d.ts +5 -3
- package/lib/commonjs/extensions/cellpack/model.js +193 -55
- package/lib/commonjs/extensions/cellpack/model.js.map +1 -1
- package/lib/commonjs/extensions/cellpack/preset.d.ts +2 -1
- package/lib/commonjs/extensions/cellpack/preset.js +12 -15
- package/lib/commonjs/extensions/cellpack/preset.js.map +1 -1
- package/lib/commonjs/extensions/cellpack/property.d.ts +1 -1
- package/lib/commonjs/extensions/cellpack/property.js +1 -1
- package/lib/commonjs/extensions/cellpack/representation.d.ts +53 -0
- package/lib/commonjs/extensions/cellpack/representation.js +47 -0
- package/lib/commonjs/extensions/cellpack/representation.js.map +1 -0
- package/lib/commonjs/extensions/cellpack/state.d.ts +16 -5
- package/lib/commonjs/extensions/cellpack/state.js +233 -26
- package/lib/commonjs/extensions/cellpack/state.js.map +1 -1
- package/lib/commonjs/extensions/cellpack/util.d.ts +3 -1
- package/lib/commonjs/extensions/cellpack/util.js +31 -3
- package/lib/commonjs/extensions/cellpack/util.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/mesh-exporter.d.ts +1 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.d.ts +2 -2
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.d.ts +12 -12
- package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +15 -0
- 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/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/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.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/mesh/builder/sheet.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/mesh/builder/sheet.js +19 -11
- package/lib/commonjs/mol-geo/geometry/mesh/builder/sheet.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.d.ts +2 -2
- package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.js +57 -15
- package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.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/spheres/spheres.d.ts +1 -0
- package/lib/commonjs/mol-geo/geometry/text/text.js +1 -1
- package/lib/commonjs/mol-geo/geometry/text/text.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/_spec/cylinders.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/cylinders.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/cylinders.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/direct-volume.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/direct-volume.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/direct-volume.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/gl.d.ts +9 -0
- package/lib/commonjs/mol-gl/_spec/gl.js +33 -0
- package/lib/commonjs/mol-gl/_spec/gl.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/gl.shim.js +1 -1
- package/lib/commonjs/mol-gl/_spec/gl.shim.js.map +1 -1
- package/lib/commonjs/mol-gl/_spec/image.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/image.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/image.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/lines.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/lines.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/lines.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/mesh.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/mesh.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/mesh.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/points.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/points.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/points.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/renderer.spec.d.ts +7 -1
- package/lib/commonjs/mol-gl/_spec/renderer.spec.js +6 -44
- package/lib/commonjs/mol-gl/_spec/renderer.spec.js.map +1 -1
- package/lib/commonjs/mol-gl/_spec/spheres.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/spheres.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/spheres.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/text.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/text.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/text.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/texture-mesh.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/texture-mesh.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/texture-mesh.spec.js.map +1 -0
- 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/chunks/assign-material-color.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.js.map +1 -1
- package/lib/commonjs/mol-gl/shader/direct-volume.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/direct-volume.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/direct-volume.frag.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-gl/webgl/context.js +4 -2
- package/lib/commonjs/mol-gl/webgl/context.js.map +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 +3 -3
- 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/geometry/primitives/axes3d.d.ts +2 -1
- package/lib/commonjs/mol-math/geometry/primitives/axes3d.js +9 -2
- package/lib/commonjs/mol-math/geometry/primitives/axes3d.js.map +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/structure/element/loci.d.ts +1 -0
- package/lib/commonjs/mol-model/structure/structure/element/loci.js +14 -0
- package/lib/commonjs/mol-model/structure/structure/element/loci.js.map +1 -1
- package/lib/commonjs/mol-model/structure/structure/properties.d.ts +3 -3
- package/lib/commonjs/mol-model/structure/structure/structure.js +2 -1
- package/lib/commonjs/mol-model/structure/structure/structure.js.map +1 -1
- 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-formats/shape/ply.d.ts +8 -8
- 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/computed/representations/interactions-inter-unit-cylinder.d.ts +3 -0
- package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.d.ts +3 -0
- package/lib/commonjs/mol-model-props/computed/representations/interactions.d.ts +9 -0
- package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/representation.d.ts +12 -0
- 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/selection/structure-focus-representation.js +1 -1
- package/lib/commonjs/mol-plugin/behavior/dynamic/selection/structure-focus-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/model.d.ts +3 -2
- package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/transformers.d.ts +5 -5
- 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 +11 -3
- 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-state/animation/built-in/model-index.d.ts +6 -6
- package/lib/commonjs/mol-plugin-state/builder/data.d.ts +3 -3
- package/lib/commonjs/mol-plugin-state/builder/structure/hierarchy-preset.d.ts +17 -17
- package/lib/commonjs/mol-plugin-state/builder/structure/hierarchy.d.ts +9 -9
- package/lib/commonjs/mol-plugin-state/builder/structure/representation-preset.d.ts +10 -10
- package/lib/commonjs/mol-plugin-state/builder/structure/representation-preset.js +20 -16
- package/lib/commonjs/mol-plugin-state/builder/structure/representation-preset.js.map +1 -1
- package/lib/commonjs/mol-plugin-state/formats/shape.d.ts +2 -2
- package/lib/commonjs/mol-plugin-state/formats/structure.d.ts +6 -6
- package/lib/commonjs/mol-plugin-state/formats/volume.d.ts +26 -26
- 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/measurement.d.ts +7 -2
- package/lib/commonjs/mol-plugin-state/manager/structure/measurement.js +111 -13
- package/lib/commonjs/mol-plugin-state/manager/structure/measurement.js.map +1 -1
- package/lib/commonjs/mol-plugin-state/manager/structure/selection.d.ts +3 -3
- package/lib/commonjs/mol-plugin-state/manager/structure/selection.js +4 -10
- package/lib/commonjs/mol-plugin-state/manager/structure/selection.js.map +1 -1
- package/lib/commonjs/mol-plugin-state/transforms/data.d.ts +6 -6
- package/lib/commonjs/mol-plugin-state/transforms/helpers.d.ts +3 -1
- package/lib/commonjs/mol-plugin-state/transforms/helpers.js +7 -4
- package/lib/commonjs/mol-plugin-state/transforms/helpers.js.map +1 -1
- package/lib/commonjs/mol-plugin-state/transforms/model.d.ts +9 -9
- package/lib/commonjs/mol-plugin-state/transforms/model.js.map +1 -1
- package/lib/commonjs/mol-plugin-state/transforms/representation.d.ts +18 -3
- package/lib/commonjs/mol-plugin-state/transforms/representation.js +54 -2
- package/lib/commonjs/mol-plugin-state/transforms/representation.js.map +1 -1
- package/lib/commonjs/mol-plugin-ui/sequence.d.ts +1 -1
- package/lib/commonjs/mol-plugin-ui/sequence.js +16 -2
- package/lib/commonjs/mol-plugin-ui/sequence.js.map +1 -1
- package/lib/commonjs/mol-plugin-ui/structure/measurements.d.ts +11 -2
- package/lib/commonjs/mol-plugin-ui/structure/measurements.js +49 -6
- package/lib/commonjs/mol-plugin-ui/structure/measurements.js.map +1 -1
- package/lib/commonjs/mol-plugin-ui/structure/selection.d.ts +1 -1
- package/lib/commonjs/mol-repr/representation.d.ts +1 -0
- package/lib/commonjs/mol-repr/representation.js +10 -4
- package/lib/commonjs/mol-repr/representation.js.map +1 -1
- package/lib/commonjs/mol-repr/shape/loci/orientation.d.ts +6 -5
- package/lib/commonjs/mol-repr/shape/loci/orientation.js +37 -51
- package/lib/commonjs/mol-repr/shape/loci/orientation.js.map +1 -1
- package/lib/commonjs/mol-repr/shape/loci/plane.d.ts +27 -0
- package/lib/commonjs/mol-repr/shape/loci/plane.js +61 -0
- package/lib/commonjs/mol-repr/shape/loci/plane.js.map +1 -0
- 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 +34 -15
- package/lib/commonjs/mol-repr/structure/representation/ball-and-stick.d.ts +18 -6
- package/lib/commonjs/mol-repr/structure/representation/carbohydrate.d.ts +9 -0
- package/lib/commonjs/mol-repr/structure/representation/cartoon.d.ts +3 -0
- package/lib/commonjs/mol-repr/structure/representation/ellipsoid.d.ts +18 -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 +40 -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 +12 -4
- package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-cylinder.js +20 -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 +4 -2
- package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-line.js +13 -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 +12 -4
- package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-cylinder.js +21 -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 +4 -2
- package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-line.js +14 -6
- package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-line.js.map +1 -1
- package/lib/commonjs/mol-repr/structure/visual/carbohydrate-link-cylinder.d.ts +3 -0
- package/lib/commonjs/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.d.ts +3 -0
- 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/polymer-trace-mesh.d.ts +3 -0
- package/lib/commonjs/mol-repr/structure/visual/polymer-trace-mesh.js +22 -15
- package/lib/commonjs/mol-repr/structure/visual/polymer-trace-mesh.js.map +1 -1
- package/lib/commonjs/mol-repr/structure/visual/polymer-tube-mesh.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/polymer-tube-mesh.js.map +1 -1
- package/lib/commonjs/mol-repr/structure/visual/util/bond.d.ts +30 -16
- package/lib/commonjs/mol-repr/structure/visual/util/bond.js +2 -1
- 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 +14 -4
- package/lib/commonjs/mol-repr/structure/visual/util/link.js +90 -37
- 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 +3 -3
- package/lib/commonjs/mol-repr/volume/slice.d.ts +3 -3
- package/lib/commonjs/mol-script/language/builder.d.ts +0 -1
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- 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/orientation-axes-mesh.d.ts +35 -0
- package/lib/mol-repr/structure/visual/orientation-axes-mesh.js +43 -0
- package/lib/mol-repr/structure/visual/orientation-axes-mesh.js.map +1 -0
- package/lib/mol-repr/structure/visual/orientation-ellipsoid-mesh copy.d.ts +31 -0
- package/lib/mol-repr/structure/visual/orientation-ellipsoid-mesh copy.js +48 -0
- package/lib/mol-repr/structure/visual/orientation-ellipsoid-mesh copy.js.map +1 -0
- package/lib/mol-repr/structure/visual/polymer-trace-mesh.d.ts +3 -0
- package/lib/mol-repr/structure/visual/polymer-trace-mesh.js +22 -15
- package/lib/mol-repr/structure/visual/polymer-trace-mesh.js.map +1 -1
- package/lib/mol-repr/structure/visual/polymer-tube-mesh.js +1 -1
- package/lib/mol-repr/structure/visual/polymer-tube-mesh.js.map +1 -1
- package/lib/mol-repr/structure/visual/util/bond.d.ts +18 -4
- package/lib/mol-repr/structure/visual/util/bond.js +2 -1
- 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 +14 -4
- package/lib/mol-repr/structure/visual/util/link.js +90 -37
- package/lib/mol-repr/structure/visual/util/link.js.map +1 -1
- package/lib/mol-repr/structure/visual/util/orientation.d.ts +17 -0
- package/lib/mol-repr/structure/visual/util/orientation.js +71 -0
- package/lib/mol-repr/structure/visual/util/orientation.js.map +1 -0
- 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/registry.d.ts +3 -3
- package/lib/mol-repr/volume/slice.d.ts +6 -6
- package/lib/mol-script/language/builder.d.ts +0 -1
- package/lib/mol-task/util/scheduler.d.ts +0 -1
- 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-theme/label.d.ts +1 -0
- package/lib/mol-theme/label.js +9 -0
- package/lib/mol-theme/label.js.map +1 -1
- 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/tests/browser/index.html +36 -36
- package/lib/tsconfig.commonjs.tsbuildinfo +1 -1
- package/package.json +159 -155
- package/lib/commonjs/mol-gl/shader/chunks/wboit-params.glsl.d.ts +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/wboit-params.glsl.js +0 -5
- package/lib/commonjs/mol-gl/shader/chunks/wboit-params.glsl.js.map +0 -1
- package/lib/commonjs/mol-model/structure/model/properties/utils/guess-element.d.ts +0 -6
- package/lib/commonjs/mol-model/structure/model/properties/utils/guess-element.js +0 -40
- package/lib/commonjs/mol-model/structure/model/properties/utils/guess-element.js.map +0 -1
- package/lib/commonjs/mol-repr/structure/visual/aromatic-ring-mesh.js +0 -3
- package/lib/commonjs/mol-repr/structure/visual/aromatic-ring-mesh.js.map +0 -1
- package/lib/commonjs/mol-repr/structure/visual/util/polymer/backbone-iterator.d.ts +0 -37
- package/lib/commonjs/mol-repr/structure/visual/util/polymer/backbone-iterator.js +0 -116
- package/lib/commonjs/mol-repr/structure/visual/util/polymer/backbone-iterator.js.map +0 -1
- package/lib/commonjs/mol-script/util/residue-list.d.ts +0 -7
- package/lib/commonjs/mol-script/util/residue-list.js +0 -63
- package/lib/commonjs/mol-script/util/residue-list.js.map +0 -1
- package/lib/mol-gl/shader/chunks/wboit-params.glsl.d.ts +0 -1
- package/lib/mol-gl/shader/chunks/wboit-params.glsl.js +0 -2
- package/lib/mol-gl/shader/chunks/wboit-params.glsl.js.map +0 -1
- package/lib/mol-model/structure/model/properties/utils/guess-element.d.ts +0 -6
- package/lib/mol-model/structure/model/properties/utils/guess-element.js +0 -36
- package/lib/mol-model/structure/model/properties/utils/guess-element.js.map +0 -1
- package/lib/mol-model-formats/structure/mol copy.d.ts +0 -17
- package/lib/mol-model-formats/structure/mol copy.js +0 -86
- package/lib/mol-model-formats/structure/mol copy.js.map +0 -1
- package/lib/mol-repr/structure/visual/aromatic-ring-mesh.d.ts +0 -0
- package/lib/mol-repr/structure/visual/aromatic-ring-mesh.js +0 -3
- package/lib/mol-repr/structure/visual/aromatic-ring-mesh.js.map +0 -1
- package/lib/mol-repr/structure/visual/util/polymer/backbone-iterator.d.ts +0 -37
- package/lib/mol-repr/structure/visual/util/polymer/backbone-iterator.js +0 -112
- package/lib/mol-repr/structure/visual/util/polymer/backbone-iterator.js.map +0 -1
- package/lib/mol-script/util/residue-list.d.ts +0 -7
- package/lib/mol-script/util/residue-list.js +0 -59
- package/lib/mol-script/util/residue-list.js.map +0 -1
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@@ -121,7 +121,7 @@ export declare const BIRD_Schema: {
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/**
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* Defines the polymer characteristic of the entity.
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*/
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type: Schema.Aliased<"polymer" | "
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type: Schema.Aliased<"non-polymer" | "polymer" | "branched" | "polymer-like">;
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/**
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* Additional details about this entity.
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*/
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/**
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* The bond order target for the chemical linkage.
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*/
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value_order: Schema.Aliased<"
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value_order: Schema.Aliased<"sing" | "doub" | "trip" | "quad" | "arom" | "poly" | "delo" | "pi">;
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/**
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* The entity component identifier for the first of two entities containing the linkage.
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*/
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/**
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* The bond order target for the non-standard linkage.
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*/
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value_order: Schema.Aliased<"
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value_order: Schema.Aliased<"sing" | "doub" | "trip" | "quad" | "arom" | "poly" | "delo" | "pi">;
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};
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/**
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* Data items in the PDBX_REFERENCE_ENTITY_POLY category record details about
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/**
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* The type of the polymer.
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*/
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type: Schema.Aliased<"
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type: Schema.Aliased<"peptide-like" | "oligosaccharide" | "nucleic-acid-like" | "polysaccharide-like">;
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/**
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* The database code for this source information
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*/
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@@ -479,7 +479,7 @@ export declare const BIRD_Schema: {
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/**
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* An identifier for the wwPDB site creating or modifying the molecule.
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*/
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processing_site: Schema.Aliased<"
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processing_site: Schema.Aliased<"RCSB" | "BMRB" | "PDBJ" | "PDBC" | "PDBe">;
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/**
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* The action associated with this audit record.
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*/
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@@ -93,7 +93,7 @@ export declare const CCD_Schema: {
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* linking monomers, monomers with some type of N-terminal (or 5')
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* cap and monomers with some type of C-terminal (or 3') cap.
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*/
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type: Schema.Aliased<"
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type: Schema.Aliased<"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">;
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/**
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* Synonym list for the component.
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*/
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* bond associated with the specified atoms, expressed as a bond
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* order.
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*/
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value_order: Schema.Aliased<"
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value_order: Schema.Aliased<"sing" | "doub" | "trip" | "quad" | "arom" | "poly" | "delo" | "pi">;
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/**
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* Ordinal index for the component bond list.
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*/
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@@ -10,11 +10,11 @@ export declare const DensityServer_Header_Schema: {
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server_version: Schema.Str;
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datetime_utc: Schema.Str;
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guid: Schema.Str;
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is_empty: Schema.Aliased<"
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has_error: Schema.Aliased<"
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is_empty: Schema.Aliased<"no" | "n" | "yes" | "y">;
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has_error: Schema.Aliased<"no" | "n" | "yes" | "y">;
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error: Schema.Str;
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query_source_id: Schema.Str;
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query_type: Schema.Aliased<"
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query_type: Schema.Aliased<"cell" | "box">;
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query_box_type: Schema.Aliased<"cartesian" | "fractional">;
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query_box_a: Schema.Tensor;
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query_box_b: Schema.Tensor;
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@@ -21,18 +21,18 @@ export declare const mmCIF_chemCompBond_schema: {
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atom_id_1: Column.Schema.Str;
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atom_id_2: Column.Schema.Str;
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comp_id: Column.Schema.Str;
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value_order: Column.Schema.Aliased<"
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value_order: Column.Schema.Aliased<"sing" | "doub" | "trip" | "quad" | "arom" | "poly" | "delo" | "pi">;
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pdbx_ordinal: Column.Schema.Int;
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pdbx_stereo_config: Column.Schema.Aliased<"E" | "Z" | "N">;
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pdbx_aromatic_flag: Column.Schema.Aliased<"N" | "Y">;
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};
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/** Has `type` extended with 'Ion' and 'Lipid' */
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export declare const mmCIF_chemComp_schema: {
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type: Column.Schema.Aliased<"
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type: Column.Schema.Aliased<"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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formula: Column.Schema.Str;
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formula_weight: Column.Schema.Float;
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id: Column.Schema.Str;
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mon_nstd_flag: Column.Schema.Aliased<"
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mon_nstd_flag: Column.Schema.Aliased<"no" | "n" | "yes" | "y">;
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name: Column.Schema.Str;
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pdbx_synonyms: Column.Schema.List<string>;
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};
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@@ -478,7 +478,7 @@ export declare const mmCIF_Schema: {
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* _chem_comp.mon_nstd_parent, _chem_comp.mon_nstd_class and
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* _chem_comp.mon_nstd_details data items.
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*/
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mon_nstd_flag: Schema.Aliased<"
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mon_nstd_flag: Schema.Aliased<"no" | "n" | "yes" | "y">;
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/**
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* The full name of the component.
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*/
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@@ -489,7 +489,7 @@ export declare const mmCIF_Schema: {
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* linking monomers, monomers with some type of N-terminal (or 5')
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* cap and monomers with some type of C-terminal (or 3') cap.
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*/
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type: Schema.Aliased<"
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type: Schema.Aliased<"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">;
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/**
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* Synonym list for the component.
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*/
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@@ -526,7 +526,7 @@ export declare const mmCIF_Schema: {
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* bond associated with the specified atoms, expressed as a bond
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* order.
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*/
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value_order: Schema.Aliased<"
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value_order: Schema.Aliased<"sing" | "doub" | "trip" | "quad" | "arom" | "poly" | "delo" | "pi">;
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/**
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* Ordinal index for the component bond list.
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*/
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@@ -670,7 +670,7 @@ export declare const mmCIF_Schema: {
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/**
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* An abbreviation that identifies the database.
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*/
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database_id: Schema.Aliased<"
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database_id: Schema.Aliased<"CAS" | "CSD" | "EMDB" | "ICSD" | "MDF" | "NDB" | "NBS" | "PDB" | "PDF" | "RCSB" | "EBI" | "PDBE" | "BMRB" | "WWPDB" | "PDB_ACC">;
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/**
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* The code assigned by the database identified in
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@@ -746,7 +746,7 @@ export declare const mmCIF_Schema: {
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* Water entities are not expected to have corresponding
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*/
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type: Schema.Aliased<"polymer" | "
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type: Schema.Aliased<"non-polymer" | "polymer" | "macrolide" | "water" | "branched">;
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/**
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* A description of the entity.
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*
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@@ -786,12 +786,12 @@ export declare const mmCIF_Schema: {
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* one monomer-to-monomer link different from that implied by
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* _entity_poly.type.
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*/
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nstd_linkage: Schema.Aliased<"
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nstd_linkage: Schema.Aliased<"no" | "n" | "yes" | "y">;
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/**
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* A flag to indicate whether the polymer contains at least
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* one monomer that is not considered standard.
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*/
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nstd_monomer: Schema.Aliased<"
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nstd_monomer: Schema.Aliased<"no" | "n" | "yes" | "y">;
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/**
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* The type of the polymer.
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*/
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@@ -885,7 +885,7 @@ export declare const mmCIF_Schema: {
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* A flag to indicate whether this monomer in the polymer is
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* heterogeneous in sequence.
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*/
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hetero: Schema.Aliased<"
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hetero: Schema.Aliased<"no" | "n" | "yes" | "y">;
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/**
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* This data item is a pointer to _chem_comp.id in the CHEM_COMP
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* category.
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@@ -1420,7 +1420,7 @@ export declare const mmCIF_Schema: {
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* those that are given in the data block (in which case the value
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* of code is 'generate').
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*/
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code: Schema.Aliased<"
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code: Schema.Aliased<"given" | "generate">;
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/**
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1425
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* A description of special aspects of the noncrystallographic
|
|
1426
1426
|
* symmetry operator.
|
|
@@ -1886,7 +1886,7 @@ export declare const mmCIF_Schema: {
|
|
|
1886
1886
|
/**
|
|
1887
1887
|
* The identifying content type of the related entry.
|
|
1888
1888
|
*/
|
|
1889
|
-
content_type: Schema.Aliased<"
|
|
1889
|
+
content_type: Schema.Aliased<"other" | "minimized average structure" | "representative structure" | "ensemble" | "derivative structure" | "native structure" | "associated EM volume" | "other EM volume" | "associated NMR restraints" | "associated structure factors" | "associated SAS data" | "protein target sequence and/or protocol data" | "split" | "re-refinement" | "complete structure" | "unspecified">;
|
|
1890
1890
|
};
|
|
1891
1891
|
/**
|
|
1892
1892
|
* The PDBX_ENTITY_NONPOLY category provides a mapping between
|
|
@@ -2218,7 +2218,7 @@ export declare const mmCIF_Schema: {
|
|
|
2218
2218
|
/**
|
|
2219
2219
|
* Defines the polymer characteristic of the entity.
|
|
2220
2220
|
*/
|
|
2221
|
-
type: Schema.Aliased<"polymer" | "
|
|
2221
|
+
type: Schema.Aliased<"non-polymer" | "polymer" | "branched" | "polymer-like">;
|
|
2222
2222
|
/**
|
|
2223
2223
|
* Additional details about this entity.
|
|
2224
2224
|
*/
|
|
@@ -2313,7 +2313,7 @@ export declare const mmCIF_Schema: {
|
|
|
2313
2313
|
/**
|
|
2314
2314
|
* The bond order target for the chemical linkage.
|
|
2315
2315
|
*/
|
|
2316
|
-
value_order: Schema.Aliased<"
|
|
2316
|
+
value_order: Schema.Aliased<"sing" | "doub" | "trip" | "quad" | "arom" | "poly" | "delo" | "pi">;
|
|
2317
2317
|
/**
|
|
2318
2318
|
* The entity component identifier for the first of two entities containing the linkage.
|
|
2319
2319
|
*/
|
|
@@ -2399,7 +2399,7 @@ export declare const mmCIF_Schema: {
|
|
|
2399
2399
|
/**
|
|
2400
2400
|
* The bond order target for the non-standard linkage.
|
|
2401
2401
|
*/
|
|
2402
|
-
value_order: Schema.Aliased<"
|
|
2402
|
+
value_order: Schema.Aliased<"sing" | "doub" | "trip" | "quad" | "arom" | "poly" | "delo" | "pi">;
|
|
2403
2403
|
};
|
|
2404
2404
|
/**
|
|
2405
2405
|
* Data items in the PDBX_MOLECULE category identify reference molecules
|
|
@@ -2660,7 +2660,7 @@ export declare const mmCIF_Schema: {
|
|
|
2660
2660
|
* A flag to indicate whether this monomer in the entity is
|
|
2661
2661
|
* heterogeneous in sequence.
|
|
2662
2662
|
*/
|
|
2663
|
-
hetero: Schema.Aliased<"
|
|
2663
|
+
hetero: Schema.Aliased<"no" | "n" | "yes" | "y">;
|
|
2664
2664
|
/**
|
|
2665
2665
|
* This data item is a pointer to _chem_comp.id in the CHEM_COMP
|
|
2666
2666
|
* category.
|
|
@@ -2748,7 +2748,7 @@ export declare const mmCIF_Schema: {
|
|
|
2748
2748
|
/**
|
|
2749
2749
|
* The bond order target for the chemical linkage.
|
|
2750
2750
|
*/
|
|
2751
|
-
value_order: Schema.Aliased<"
|
|
2751
|
+
value_order: Schema.Aliased<"sing" | "doub" | "trip" | "quad" | "arom" | "poly" | "delo" | "pi">;
|
|
2752
2752
|
};
|
|
2753
2753
|
/**
|
|
2754
2754
|
* Data items in the PDBX_ENTITY_BRANCH category specify the list
|
|
@@ -2779,7 +2779,7 @@ export declare const mmCIF_Schema: {
|
|
|
2779
2779
|
* A flag to indicate whether this monomer in the entity is
|
|
2780
2780
|
* heterogeneous in sequence.
|
|
2781
2781
|
*/
|
|
2782
|
-
hetero: Schema.Aliased<"
|
|
2782
|
+
hetero: Schema.Aliased<"no" | "n" | "yes" | "y">;
|
|
2783
2783
|
/**
|
|
2784
2784
|
* Pointer to _atom_site.label_asym_id.
|
|
2785
2785
|
*/
|
|
@@ -3083,7 +3083,7 @@ export declare const mmCIF_Schema: {
|
|
|
3083
3083
|
/**
|
|
3084
3084
|
* The primitive object used to model this segment.
|
|
3085
3085
|
*/
|
|
3086
|
-
model_object_primitive: Schema.Aliased<"
|
|
3086
|
+
model_object_primitive: Schema.Aliased<"other" | "atomistic" | "sphere" | "gaussian">;
|
|
3087
3087
|
/**
|
|
3088
3088
|
* The identifier for the starting structural model.
|
|
3089
3089
|
* This data item is a pointer to _ihm_starting_model_details.starting_model_id
|
|
@@ -3343,11 +3343,11 @@ export declare const mmCIF_Schema: {
|
|
|
3343
3343
|
/**
|
|
3344
3344
|
* The type of post modeling analysis being carried out.
|
|
3345
3345
|
*/
|
|
3346
|
-
type: Schema.Aliased<"
|
|
3346
|
+
type: Schema.Aliased<"filter" | "other" | "cluster" | "rescore" | "validation" | "none">;
|
|
3347
3347
|
/**
|
|
3348
3348
|
* The parameter/feature used in the post modeling analysis.
|
|
3349
3349
|
*/
|
|
3350
|
-
feature: Schema.Aliased<"
|
|
3350
|
+
feature: Schema.Aliased<"other" | "none" | "energy/score" | "RMSD" | "dRMSD">;
|
|
3351
3351
|
/**
|
|
3352
3352
|
* The number of models at the beginning of the post processing step.
|
|
3353
3353
|
*/
|
|
@@ -3566,7 +3566,7 @@ export declare const mmCIF_Schema: {
|
|
|
3566
3566
|
/**
|
|
3567
3567
|
* The application / utilization of the dataset group in modeling.
|
|
3568
3568
|
*/
|
|
3569
|
-
application: Schema.Aliased<"
|
|
3569
|
+
application: Schema.Aliased<"filter" | "other" | "validation" | "restraint" | "representation" | "sampling">;
|
|
3570
3570
|
/**
|
|
3571
3571
|
* Additional details regarding the dataset group.
|
|
3572
3572
|
*/
|
|
@@ -4591,11 +4591,11 @@ export declare const mmCIF_Schema: {
|
|
|
4591
4591
|
/**
|
|
4592
4592
|
* The type of feature.
|
|
4593
4593
|
*/
|
|
4594
|
-
feature_type: Schema.Aliased<"
|
|
4594
|
+
feature_type: Schema.Aliased<"atom" | "residue" | "residue range" | "ligand" | "pseudo site">;
|
|
4595
4595
|
/**
|
|
4596
4596
|
* The type of entity.
|
|
4597
4597
|
*/
|
|
4598
|
-
entity_type: Schema.Aliased<"polymer" | "
|
|
4598
|
+
entity_type: Schema.Aliased<"non-polymer" | "other" | "polymer" | "water">;
|
|
4599
4599
|
};
|
|
4600
4600
|
/**
|
|
4601
4601
|
* Data items in the IHM_POLY_RESIDUE_FEATURE category provides the defintions
|
|
@@ -24,7 +24,7 @@ export declare const PlyTypeByteLength: {
|
|
|
24
24
|
};
|
|
25
25
|
export declare type PlyType = keyof typeof PlyTypeByteLength;
|
|
26
26
|
export declare const PlyTypes: Set<string>;
|
|
27
|
-
export declare function PlyType(str: string): "
|
|
27
|
+
export declare function PlyType(str: string): "int" | "float" | "float32" | "int32" | "uint16" | "uint32" | "uint8" | "int8" | "int16" | "ushort" | "short" | "double" | "char" | "uchar" | "uint" | "float64";
|
|
28
28
|
export interface PlyFile {
|
|
29
29
|
readonly comments: ReadonlyArray<string>;
|
|
30
30
|
readonly elementNames: ReadonlyArray<string>;
|
|
@@ -1,5 +1,5 @@
|
|
|
1
1
|
/**
|
|
2
|
-
* Copyright (c) 2019 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
2
|
+
* Copyright (c) 2019-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
3
3
|
*
|
|
4
4
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
5
5
|
*/
|
|
@@ -23,5 +23,6 @@ declare namespace Axes3D {
|
|
|
23
23
|
function normalize(out: Axes3D, a: Axes3D): Axes3D;
|
|
24
24
|
/** Transform axes with a Mat4 */
|
|
25
25
|
function transform(out: Axes3D, a: Axes3D, m: Mat4): Axes3D;
|
|
26
|
+
function scale(out: Axes3D, a: Axes3D, scale: number): Axes3D;
|
|
26
27
|
}
|
|
27
28
|
export { Axes3D };
|
|
@@ -1,6 +1,6 @@
|
|
|
1
1
|
"use strict";
|
|
2
2
|
/**
|
|
3
|
-
* Copyright (c) 2019 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
3
|
+
* Copyright (c) 2019-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
4
4
|
*
|
|
5
5
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
6
6
|
*/
|
|
@@ -48,7 +48,7 @@ exports.Axes3D = Axes3D;
|
|
|
48
48
|
return out;
|
|
49
49
|
}
|
|
50
50
|
Axes3D.normalize = normalize;
|
|
51
|
-
var tmpTransformMat3 = linear_algebra_1.Mat3
|
|
51
|
+
var tmpTransformMat3 = (0, linear_algebra_1.Mat3)();
|
|
52
52
|
/** Transform axes with a Mat4 */
|
|
53
53
|
function transform(out, a, m) {
|
|
54
54
|
linear_algebra_1.Vec3.transformMat4(out.origin, a.origin, m);
|
|
@@ -59,6 +59,13 @@ exports.Axes3D = Axes3D;
|
|
|
59
59
|
return out;
|
|
60
60
|
}
|
|
61
61
|
Axes3D.transform = transform;
|
|
62
|
+
function scale(out, a, scale) {
|
|
63
|
+
linear_algebra_1.Vec3.scale(out.dirA, a.dirA, scale);
|
|
64
|
+
linear_algebra_1.Vec3.scale(out.dirB, a.dirB, scale);
|
|
65
|
+
linear_algebra_1.Vec3.scale(out.dirC, a.dirC, scale);
|
|
66
|
+
return out;
|
|
67
|
+
}
|
|
68
|
+
Axes3D.scale = scale;
|
|
62
69
|
})(Axes3D || (Axes3D = {}));
|
|
63
70
|
exports.Axes3D = Axes3D;
|
|
64
71
|
//# sourceMappingURL=axes3d.js.map
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"axes3d.js","sourceRoot":"","sources":["../../../../../src/mol-math/geometry/primitives/axes3d.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;AAEH,uDAAwD;AAIxD,SAAS,MAAM;IACX,OAAO,MAAM,CAAC,KAAK,EAAE,CAAC;AAC1B,CAAC;
|
|
1
|
+
{"version":3,"file":"axes3d.js","sourceRoot":"","sources":["../../../../../src/mol-math/geometry/primitives/axes3d.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;AAEH,uDAAwD;AAIxD,SAAS,MAAM;IACX,OAAO,MAAM,CAAC,KAAK,EAAE,CAAC;AAC1B,CAAC;AAyDQ,wBAAM;AAvDf,WAAU,MAAM;IACZ,SAAgB,MAAM,CAAC,MAAY,EAAE,IAAU,EAAE,IAAU,EAAE,IAAU,IAAY,OAAO,EAAE,MAAM,QAAA,EAAE,IAAI,MAAA,EAAE,IAAI,MAAA,EAAE,IAAI,MAAA,EAAE,CAAC,CAAC,CAAC;IAAzG,aAAM,SAAmG,CAAA;IACzH,SAAgB,KAAK,KAAa,OAAO,EAAE,MAAM,EAAE,IAAA,qBAAI,GAAE,EAAE,IAAI,EAAE,IAAA,qBAAI,GAAE,EAAE,IAAI,EAAE,IAAA,qBAAI,GAAE,EAAE,IAAI,EAAE,IAAA,qBAAI,GAAE,EAAE,CAAC,CAAC,CAAC;IAAxF,YAAK,QAAmF,CAAA;IAExG,SAAgB,IAAI,CAAC,GAAW,EAAE,CAAS;QACvC,qBAAI,CAAC,IAAI,CAAC,GAAG,CAAC,MAAM,EAAE,CAAC,CAAC,MAAM,CAAC,CAAC;QAChC,qBAAI,CAAC,IAAI,CAAC,GAAG,CAAC,IAAI,EAAE,CAAC,CAAC,IAAI,CAAC,CAAC;QAC5B,qBAAI,CAAC,IAAI,CAAC,GAAG,CAAC,IAAI,EAAE,CAAC,CAAC,IAAI,CAAC,CAAC;QAC5B,qBAAI,CAAC,IAAI,CAAC,GAAG,CAAC,IAAI,EAAE,CAAC,CAAC,IAAI,CAAC,CAAC;QAC5B,OAAO,GAAG,CAAC;IACf,CAAC;IANe,WAAI,OAMnB,CAAA;IAED,SAAgB,KAAK,CAAC,CAAS;QAC3B,OAAO,IAAI,CAAC,KAAK,EAAE,EAAE,CAAC,CAAC,CAAC;IAC5B,CAAC;IAFe,YAAK,QAEpB,CAAA;IAED,iCAAiC;IACjC,SAAgB,IAAI,CAAC,IAAU,EAAE,IAAY;QACzC,OAAO,qBAAI,CAAC,GAAG,CAAC,IAAI,EAAE,qBAAI,CAAC,SAAS,CAAC,IAAI,CAAC,IAAI,CAAC,GAAG,CAAC,EAAE,qBAAI,CAAC,SAAS,CAAC,IAAI,CAAC,IAAI,CAAC,GAAG,CAAC,EAAE,qBAAI,CAAC,SAAS,CAAC,IAAI,CAAC,IAAI,CAAC,GAAG,CAAC,CAAC,CAAC;IACvH,CAAC;IAFe,WAAI,OAEnB,CAAA;IAED,IAAM,QAAQ,GAAG,IAAA,qBAAI,GAAE,CAAC;IACxB,uDAAuD;IACvD,SAAgB,MAAM,CAAC,IAAY;QAC/B,IAAI,CAAC,QAAQ,EAAE,IAAI,CAAC,CAAC;QACrB,OAAO,QAAQ,CAAC,CAAC,CAAC,GAAG,QAAQ,CAAC,CAAC,CAAC,GAAG,QAAQ,CAAC,CAAC,CAAC,CAAC;IACnD,CAAC;IAHe,aAAM,SAGrB,CAAA;IAED,SAAgB,SAAS,CAAC,GAAW,EAAE,CAAS;QAC5C,qBAAI,CAAC,IAAI,CAAC,GAAG,CAAC,MAAM,EAAE,CAAC,CAAC,MAAM,CAAC,CAAC;QAChC,qBAAI,CAAC,SAAS,CAAC,GAAG,CAAC,IAAI,EAAE,CAAC,CAAC,IAAI,CAAC,CAAC;QACjC,qBAAI,CAAC,SAAS,CAAC,GAAG,CAAC,IAAI,EAAE,CAAC,CAAC,IAAI,CAAC,CAAC;QACjC,qBAAI,CAAC,SAAS,CAAC,GAAG,CAAC,IAAI,EAAE,CAAC,CAAC,IAAI,CAAC,CAAC;QACjC,OAAO,GAAG,CAAC;IACf,CAAC;IANe,gBAAS,YAMxB,CAAA;IAED,IAAM,gBAAgB,GAAG,IAAA,qBAAI,GAAE,CAAC;IAChC,iCAAiC;IACjC,SAAgB,SAAS,CAAC,GAAW,EAAE,CAAS,EAAE,CAAO;QACrD,qBAAI,CAAC,aAAa,CAAC,GAAG,CAAC,MAAM,EAAE,CAAC,CAAC,MAAM,EAAE,CAAC,CAAC,CAAC;QAC5C,IAAM,CAAC,GAAG,qBAAI,CAAC,kBAAkB,CAAC,gBAAgB,EAAE,CAAC,CAAC,CAAC;QACvD,qBAAI,CAAC,aAAa,CAAC,GAAG,CAAC,IAAI,EAAE,CAAC,CAAC,IAAI,EAAE,CAAC,CAAC,CAAC;QACxC,qBAAI,CAAC,aAAa,CAAC,GAAG,CAAC,IAAI,EAAE,CAAC,CAAC,IAAI,EAAE,CAAC,CAAC,CAAC;QACxC,qBAAI,CAAC,aAAa,CAAC,GAAG,CAAC,IAAI,EAAE,CAAC,CAAC,IAAI,EAAE,CAAC,CAAC,CAAC;QACxC,OAAO,GAAG,CAAC;IACf,CAAC;IAPe,gBAAS,YAOxB,CAAA;IAED,SAAgB,KAAK,CAAC,GAAW,EAAE,CAAS,EAAE,KAAa;QACvD,qBAAI,CAAC,KAAK,CAAC,GAAG,CAAC,IAAI,EAAE,CAAC,CAAC,IAAI,EAAE,KAAK,CAAC,CAAC;QACpC,qBAAI,CAAC,KAAK,CAAC,GAAG,CAAC,IAAI,EAAE,CAAC,CAAC,IAAI,EAAE,KAAK,CAAC,CAAC;QACpC,qBAAI,CAAC,KAAK,CAAC,GAAG,CAAC,IAAI,EAAE,CAAC,CAAC,IAAI,EAAE,KAAK,CAAC,CAAC;QACpC,OAAO,GAAG,CAAC;IACf,CAAC;IALe,YAAK,QAKpB,CAAA;AACL,CAAC,EArDS,MAAM,KAAN,MAAM,QAqDf;AAEQ,wBAAM"}
|
|
@@ -1,5 +1,5 @@
|
|
|
1
1
|
/**
|
|
2
|
-
* Copyright (c) 2017-
|
|
2
|
+
* Copyright (c) 2017-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
3
3
|
*
|
|
4
4
|
* @author David Sehnal <david.sehnal@gmail.com>
|
|
5
5
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
@@ -150,6 +150,8 @@ declare namespace Vec3 {
|
|
|
150
150
|
function isZero(v: Vec3): boolean;
|
|
151
151
|
/** Project `point` onto `vector` starting from `origin` */
|
|
152
152
|
function projectPointOnVector(out: Vec3, point: Vec3, vector: Vec3, origin: Vec3): Vec3;
|
|
153
|
+
/** Project `point` onto `plane` defined by `normal` starting from `origin` */
|
|
154
|
+
function projectPointOnPlane(out: Vec3, point: Vec3, normal: Vec3, origin: Vec3): Vec3;
|
|
153
155
|
function projectOnVector(out: Vec3, p: Vec3, vector: Vec3): Vec3;
|
|
154
156
|
function projectOnPlane(out: Vec3, p: Vec3, normal: Vec3): Vec3;
|
|
155
157
|
/** Get a vector that is similar to `b` but orthogonal to `a` */
|
|
@@ -1,6 +1,6 @@
|
|
|
1
1
|
"use strict";
|
|
2
2
|
/**
|
|
3
|
-
* Copyright (c) 2017-
|
|
3
|
+
* Copyright (c) 2017-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
4
4
|
*
|
|
5
5
|
* @author David Sehnal <david.sehnal@gmail.com>
|
|
6
6
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
@@ -506,11 +506,19 @@ exports.Vec3 = Vec3;
|
|
|
506
506
|
Vec3.isZero = isZero;
|
|
507
507
|
/** Project `point` onto `vector` starting from `origin` */
|
|
508
508
|
function projectPointOnVector(out, point, vector, origin) {
|
|
509
|
-
sub(out,
|
|
509
|
+
sub(out, point, origin);
|
|
510
510
|
var scalar = dot(vector, out) / squaredMagnitude(vector);
|
|
511
|
-
return add(out, scale(out,
|
|
511
|
+
return add(out, scale(out, vector, scalar), origin);
|
|
512
512
|
}
|
|
513
513
|
Vec3.projectPointOnVector = projectPointOnVector;
|
|
514
|
+
var tmpProjectPlane = zero();
|
|
515
|
+
/** Project `point` onto `plane` defined by `normal` starting from `origin` */
|
|
516
|
+
function projectPointOnPlane(out, point, normal, origin) {
|
|
517
|
+
normalize(tmpProjectPlane, normal);
|
|
518
|
+
sub(out, point, origin);
|
|
519
|
+
return sub(out, point, scale(tmpProjectPlane, tmpProjectPlane, dot(out, tmpProjectPlane)));
|
|
520
|
+
}
|
|
521
|
+
Vec3.projectPointOnPlane = projectPointOnPlane;
|
|
514
522
|
function projectOnVector(out, p, vector) {
|
|
515
523
|
var scalar = dot(vector, p) / squaredMagnitude(vector);
|
|
516
524
|
return scale(out, vector, scalar);
|
|
@@ -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) 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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@@ -1,11 +1,11 @@
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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
|
-
* Copyright (c) 2018-
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3
|
+
* Copyright (c) 2018-2021 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 Alexander Rose <alexander.rose@weirdbyte.de>
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6
6
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*/
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7
7
|
Object.defineProperty(exports, "__esModule", { value: true });
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8
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-
exports.arcLength = exports.absMax = exports.isPowerOfTwo = exports.radToDeg = exports.degToRad = exports.PiDiv180 = exports.halfPI = void 0;
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8
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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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9
9
|
exports.halfPI = Math.PI / 2;
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10
10
|
exports.PiDiv180 = Math.PI / 180;
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11
11
|
function degToRad(deg) {
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@@ -44,4 +44,26 @@ function arcLength(angle, radius) {
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44
44
|
return angle * radius;
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45
45
|
}
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46
46
|
exports.arcLength = arcLength;
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47
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+
/** Create an outward spiral of given `radius` on a 2d grid */
|
|
48
|
+
function spiral2d(radius) {
|
|
49
|
+
var _a;
|
|
50
|
+
var x = 0;
|
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51
|
+
var y = 0;
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|
52
|
+
var delta = [0, -1];
|
|
53
|
+
var size = radius * 2 + 1;
|
|
54
|
+
var halfSize = size / 2;
|
|
55
|
+
var out = [];
|
|
56
|
+
for (var i = Math.pow(size, 2); i > 0; --i) {
|
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57
|
+
if ((-halfSize < x && x <= halfSize) && (-halfSize < y && y <= halfSize)) {
|
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58
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+
out.push([x, y]);
|
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59
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+
}
|
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60
|
+
if (x === y || (x < 0 && x === -y) || (x > 0 && x === 1 - y)) {
|
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61
|
+
_a = [-delta[1], delta[0]], delta[0] = _a[0], delta[1] = _a[1]; // change direction
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62
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+
}
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63
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+
x += delta[0];
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64
|
+
y += delta[1];
|
|
65
|
+
}
|
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66
|
+
return out;
|
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67
|
+
}
|
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68
|
+
exports.spiral2d = spiral2d;
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47
69
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//# sourceMappingURL=misc.js.map
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@@ -1 +1 @@
|
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1
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-
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|
|
1
|
+
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|