molstar 3.0.0-dev.4 → 3.0.0-dev.8
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/LICENSE +20 -20
- package/README.md +187 -187
- package/build/viewer/embedded.html +43 -43
- package/build/viewer/index.html +106 -95
- package/build/viewer/molstar.js +1 -1
- package/lib/apps/docking-viewer/index.d.ts +2 -1
- package/lib/apps/docking-viewer/index.html +36 -36
- package/lib/apps/docking-viewer/index.js +87 -74
- package/lib/apps/viewer/embedded.html +43 -43
- package/lib/apps/viewer/index.d.ts +37 -215
- package/lib/apps/viewer/index.html +106 -95
- package/lib/apps/viewer/index.js +141 -52
- package/lib/cli/cifschema/index.d.ts +1 -1
- package/lib/cli/cifschema/index.js +15 -35
- package/lib/commonjs/apps/docking-viewer/index.d.ts +2 -1
- package/lib/commonjs/apps/docking-viewer/index.js +86 -73
- package/lib/commonjs/apps/viewer/index.d.ts +37 -215
- package/lib/commonjs/apps/viewer/index.js +141 -52
- package/lib/commonjs/cli/cifschema/index.d.ts +1 -1
- package/lib/commonjs/cli/cifschema/index.js +15 -35
- package/lib/commonjs/examples/alpha-orbitals/index.js +3 -4
- package/lib/commonjs/examples/basic-wrapper/index.js +23 -11
- package/lib/commonjs/examples/lighting/index.d.ts +1 -1
- package/lib/commonjs/examples/lighting/index.js +57 -41
- package/lib/commonjs/examples/proteopedia-wrapper/index.js +26 -14
- package/lib/commonjs/extensions/alpha-orbitals/transforms.d.ts +0 -1
- package/lib/commonjs/extensions/alpha-orbitals/transforms.js +1 -14
- package/lib/commonjs/extensions/anvil/behavior.d.ts +4 -0
- package/lib/commonjs/extensions/anvil/representation.d.ts +50 -0
- package/lib/commonjs/extensions/cellpack/representation.d.ts +10 -0
- package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.d.ts +30 -0
- package/lib/commonjs/extensions/geo-export/mesh-exporter.js +4 -4
- package/lib/commonjs/extensions/model-archive/quality-assessment/behavior.d.ts +68 -0
- package/lib/commonjs/extensions/model-archive/quality-assessment/behavior.js +236 -0
- package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.d.ts +14 -0
- package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.js +125 -0
- package/lib/commonjs/extensions/model-archive/quality-assessment/color/qmean.d.ts +12 -0
- package/lib/commonjs/extensions/model-archive/quality-assessment/color/qmean.js +111 -0
- package/lib/commonjs/extensions/model-archive/quality-assessment/prop.d.ts +28 -0
- package/lib/commonjs/extensions/model-archive/quality-assessment/prop.js +130 -0
- package/lib/commonjs/extensions/mp4-export/controls.d.ts +1 -0
- package/lib/commonjs/extensions/mp4-export/controls.js +9 -7
- package/lib/commonjs/extensions/pdbe/structure-quality-report/prop.js +1 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.d.ts +6 -2
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/prop.js +1 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.d.ts +10 -0
- package/lib/commonjs/extensions/rcsb/validation-report/prop.js +1 -1
- package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +50 -0
- package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +3 -9
- package/lib/commonjs/mol-canvas3d/canvas3d.js +38 -26
- package/lib/commonjs/mol-canvas3d/helper/bounding-sphere-helper.js +3 -2
- package/lib/commonjs/mol-canvas3d/helper/camera-helper.d.ts +4 -0
- package/lib/commonjs/mol-canvas3d/helper/camera-helper.js +2 -2
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.d.ts +4 -0
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.js +2 -2
- package/lib/commonjs/mol-canvas3d/helper/helper.d.ts +2 -0
- package/lib/commonjs/mol-canvas3d/passes/draw.d.ts +13 -1
- package/lib/commonjs/mol-canvas3d/passes/draw.js +16 -15
- package/lib/commonjs/mol-canvas3d/passes/image.d.ts +1 -0
- package/lib/commonjs/mol-canvas3d/passes/image.js +3 -2
- package/lib/commonjs/mol-canvas3d/passes/marking.js +1 -1
- package/lib/commonjs/mol-canvas3d/passes/multi-sample.d.ts +10 -2
- package/lib/commonjs/mol-canvas3d/passes/multi-sample.js +18 -14
- package/lib/commonjs/mol-canvas3d/passes/pick.js +12 -12
- package/lib/commonjs/mol-canvas3d/passes/postprocessing.js +3 -3
- package/lib/commonjs/mol-canvas3d/passes/smaa.js +1 -1
- package/lib/commonjs/mol-geo/geometry/base.d.ts +18 -0
- package/lib/commonjs/mol-geo/geometry/base.js +18 -1
- package/lib/commonjs/mol-geo/geometry/clipping-data.d.ts +1 -3
- package/lib/commonjs/mol-geo/geometry/clipping-data.js +3 -8
- package/lib/commonjs/mol-geo/geometry/color-data.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/color-data.js +22 -0
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +12 -2
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.js +2 -2
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.d.ts +15 -38
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +21 -66
- package/lib/commonjs/mol-geo/geometry/direct-volume/transfer-function.d.ts +2 -4
- package/lib/commonjs/mol-geo/geometry/direct-volume/transfer-function.js +4 -7
- package/lib/commonjs/mol-geo/geometry/image/image.d.ts +10 -0
- package/lib/commonjs/mol-geo/geometry/image/image.js +1 -1
- package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +11 -0
- package/lib/commonjs/mol-geo/geometry/lines/lines.js +1 -1
- package/lib/commonjs/mol-geo/geometry/marker-data.d.ts +0 -1
- package/lib/commonjs/mol-geo/geometry/marker-data.js +13 -9
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.d.ts +10 -0
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +2 -2
- package/lib/commonjs/mol-geo/geometry/points/points.d.ts +11 -1
- package/lib/commonjs/mol-geo/geometry/points/points.js +1 -1
- package/lib/commonjs/mol-geo/geometry/size-data.js +5 -5
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +10 -0
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.js +2 -2
- package/lib/commonjs/mol-geo/geometry/text/text.d.ts +10 -0
- package/lib/commonjs/mol-geo/geometry/text/text.js +1 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +10 -0
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +2 -2
- package/lib/commonjs/mol-gl/compute/histogram-pyramid/sum.js +2 -2
- package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.d.ts +2 -2
- package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.js +10 -9
- package/lib/commonjs/mol-gl/render-object.d.ts +2 -1
- package/lib/commonjs/mol-gl/render-object.js +10 -10
- package/lib/commonjs/mol-gl/renderable/cylinders.d.ts +11 -5
- package/lib/commonjs/mol-gl/renderable/cylinders.js +3 -3
- package/lib/commonjs/mol-gl/renderable/direct-volume.d.ts +15 -14
- package/lib/commonjs/mol-gl/renderable/direct-volume.js +3 -3
- package/lib/commonjs/mol-gl/renderable/image.d.ts +10 -4
- package/lib/commonjs/mol-gl/renderable/image.js +2 -2
- package/lib/commonjs/mol-gl/renderable/lines.d.ts +39 -33
- package/lib/commonjs/mol-gl/renderable/lines.js +3 -3
- package/lib/commonjs/mol-gl/renderable/mesh.d.ts +11 -5
- package/lib/commonjs/mol-gl/renderable/mesh.js +3 -3
- package/lib/commonjs/mol-gl/renderable/points.d.ts +10 -4
- package/lib/commonjs/mol-gl/renderable/points.js +2 -2
- package/lib/commonjs/mol-gl/renderable/schema.d.ts +10 -11
- package/lib/commonjs/mol-gl/renderable/schema.js +4 -10
- package/lib/commonjs/mol-gl/renderable/spheres.d.ts +11 -5
- package/lib/commonjs/mol-gl/renderable/spheres.js +3 -3
- package/lib/commonjs/mol-gl/renderable/text.d.ts +10 -4
- package/lib/commonjs/mol-gl/renderable/text.js +2 -2
- package/lib/commonjs/mol-gl/renderable/texture-mesh.d.ts +11 -6
- package/lib/commonjs/mol-gl/renderable/texture-mesh.js +3 -3
- package/lib/commonjs/mol-gl/renderable.d.ts +0 -1
- package/lib/commonjs/mol-gl/renderer.d.ts +12 -12
- package/lib/commonjs/mol-gl/renderer.js +23 -92
- package/lib/commonjs/mol-gl/scene.d.ts +2 -2
- package/lib/commonjs/mol-gl/scene.js +7 -5
- package/lib/commonjs/mol-gl/shader/chunks/apply-light-color.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/apply-light-color.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-group.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-group.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-marker-varying.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-marker-varying.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-position.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-position.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-size.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-size.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/color-frag-params.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/color-frag-params.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/common-frag-params.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/common-frag-params.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/common-vert-params.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/common-vert-params.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/common.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/common.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/wboit-write.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/wboit-write.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.vert.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.vert.js +1 -1
- package/lib/commonjs/mol-gl/shader/cylinders.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/cylinders.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/direct-volume.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/direct-volume.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/gaussian-density.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/gaussian-density.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/histogram-pyramid/reduction.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/histogram-pyramid/reduction.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/image.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/image.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/marching-cubes/isosurface.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/marching-cubes/isosurface.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/mesh.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/mesh.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/mesh.vert.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/mesh.vert.js +1 -1
- package/lib/commonjs/mol-gl/shader/spheres.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/spheres.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader-code.d.ts +3 -1
- package/lib/commonjs/mol-gl/shader-code.js +43 -14
- package/lib/commonjs/mol-gl/webgl/render-item.d.ts +7 -6
- package/lib/commonjs/mol-gl/webgl/render-item.js +10 -8
- package/lib/commonjs/mol-gl/webgl/resources.js +8 -1
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif.d.ts +326 -1
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif.js +326 -1
- package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.js +2 -2
- package/lib/commonjs/mol-math/geometry/symmetry-operator.js +3 -2
- package/lib/commonjs/mol-math/linear-algebra/3d/quat.d.ts +9 -1
- package/lib/commonjs/mol-math/linear-algebra/3d/quat.js +20 -1
- package/lib/commonjs/mol-model/structure/model/model.d.ts +1 -0
- package/lib/commonjs/mol-model/structure/model/model.js +8 -2
- package/lib/commonjs/mol-model/structure/model/properties/atomic/hierarchy.d.ts +6 -1
- package/lib/commonjs/mol-model/structure/model/properties/atomic/hierarchy.js +1 -1
- package/lib/commonjs/mol-model/structure/model/properties/utils/atomic-derived.d.ts +1 -1
- package/lib/commonjs/mol-model/structure/model/properties/utils/atomic-derived.js +4 -1
- package/lib/commonjs/mol-model/structure/model/properties/utils/atomic-index.d.ts +1 -1
- package/lib/commonjs/mol-model/structure/model/properties/utils/atomic-index.js +12 -1
- package/lib/commonjs/mol-model/structure/model/types.js +9 -0
- package/lib/commonjs/mol-model/structure/structure/unit/rings.js +2 -0
- package/lib/commonjs/mol-model-formats/shape/ply.d.ts +20 -0
- package/lib/commonjs/mol-model-props/computed/representations/interactions-inter-unit-cylinder.d.ts +10 -0
- package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.d.ts +10 -0
- package/lib/commonjs/mol-model-props/computed/representations/interactions.d.ts +30 -0
- package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/representation.d.ts +40 -0
- package/lib/commonjs/mol-plugin/behavior/dynamic/representation.js +4 -6
- package/lib/commonjs/mol-plugin/behavior/dynamic/selection/structure-focus-representation.d.ts +11 -0
- package/lib/commonjs/mol-plugin/behavior/dynamic/selection/structure-focus-representation.js +3 -1
- package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/model.d.ts +3 -2
- package/lib/commonjs/mol-plugin/commands.d.ts +1 -4
- package/lib/commonjs/mol-plugin/config.d.ts +1 -1
- package/lib/commonjs/mol-plugin/config.js +5 -25
- package/lib/commonjs/mol-plugin/features.d.ts +9 -0
- package/lib/commonjs/mol-plugin/features.js +38 -0
- package/lib/commonjs/mol-plugin/spec.js +1 -0
- package/lib/commonjs/mol-plugin/util/viewport-screenshot.d.ts +12 -0
- package/lib/commonjs/mol-plugin-state/actions/structure.d.ts +7 -1
- package/lib/commonjs/mol-plugin-state/actions/structure.js +150 -72
- package/lib/commonjs/mol-plugin-state/builder/structure/hierarchy-preset.d.ts +5 -355
- package/lib/commonjs/mol-plugin-state/builder/structure/hierarchy-preset.js +13 -8
- package/lib/commonjs/mol-plugin-state/builder/structure/hierarchy.d.ts +1 -71
- package/lib/commonjs/mol-plugin-state/builder/structure/representation-preset.d.ts +4 -4
- package/lib/commonjs/mol-plugin-state/helpers/structure-clipping.d.ts +1 -1
- package/lib/commonjs/mol-plugin-state/helpers/structure-clipping.js +1 -1
- package/lib/commonjs/mol-plugin-state/helpers/structure-selection-query.js +33 -19
- package/lib/commonjs/mol-plugin-state/manager/structure/component.d.ts +13 -1
- package/lib/commonjs/mol-plugin-state/manager/structure/component.js +13 -8
- package/lib/commonjs/mol-plugin-state/manager/structure/selection.js +3 -1
- package/lib/commonjs/mol-plugin-state/transforms/representation.d.ts +32 -0
- package/lib/commonjs/mol-plugin-state/transforms/representation.js +2 -2
- package/lib/commonjs/mol-plugin-ui/index.d.ts +4 -4
- package/lib/commonjs/mol-plugin-ui/index.js +13 -16
- package/lib/commonjs/mol-plugin-ui/plugin.js +1 -1
- package/lib/commonjs/mol-plugin-ui/viewport/simple-settings.js +2 -6
- package/lib/commonjs/mol-repr/shape/loci/angle.d.ts +10 -0
- package/lib/commonjs/mol-repr/shape/loci/common.d.ts +10 -0
- package/lib/commonjs/mol-repr/shape/loci/dihedral.d.ts +10 -0
- package/lib/commonjs/mol-repr/shape/loci/distance.d.ts +10 -0
- package/lib/commonjs/mol-repr/shape/loci/label.d.ts +10 -0
- package/lib/commonjs/mol-repr/shape/loci/orientation.d.ts +10 -0
- package/lib/commonjs/mol-repr/shape/loci/plane.d.ts +10 -0
- package/lib/commonjs/mol-repr/shape/model/unitcell.d.ts +10 -0
- package/lib/commonjs/mol-repr/structure/complex-representation.js +1 -1
- package/lib/commonjs/mol-repr/structure/complex-visual.d.ts +61 -19
- package/lib/commonjs/mol-repr/structure/params.d.ts +81 -19
- package/lib/commonjs/mol-repr/structure/registry.d.ts +141 -19
- package/lib/commonjs/mol-repr/structure/representation/backbone.d.ts +30 -0
- package/lib/commonjs/mol-repr/structure/representation/ball-and-stick.d.ts +30 -0
- package/lib/commonjs/mol-repr/structure/representation/carbohydrate.d.ts +30 -0
- package/lib/commonjs/mol-repr/structure/representation/cartoon.d.ts +30 -0
- package/lib/commonjs/mol-repr/structure/representation/ellipsoid.d.ts +30 -0
- package/lib/commonjs/mol-repr/structure/representation/gaussian-surface.d.ts +30 -0
- package/lib/commonjs/mol-repr/structure/representation/gaussian-surface.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/gaussian-volume.d.ts +34 -58
- package/lib/commonjs/mol-repr/structure/representation/gaussian-volume.js +2 -7
- package/lib/commonjs/mol-repr/structure/representation/label.d.ts +30 -0
- package/lib/commonjs/mol-repr/structure/representation/label.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/line.d.ts +30 -0
- package/lib/commonjs/mol-repr/structure/representation/molecular-surface.d.ts +30 -0
- package/lib/commonjs/mol-repr/structure/representation/molecular-surface.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/orientation.d.ts +30 -0
- package/lib/commonjs/mol-repr/structure/representation/point.d.ts +30 -0
- package/lib/commonjs/mol-repr/structure/representation/putty.d.ts +30 -0
- package/lib/commonjs/mol-repr/structure/representation/spacefill.d.ts +30 -0
- package/lib/commonjs/mol-repr/structure/units-representation.js +1 -1
- package/lib/commonjs/mol-repr/structure/units-visual.d.ts +81 -19
- package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-cylinder.d.ts +20 -0
- package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-line.d.ts +10 -0
- package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-cylinder.d.ts +20 -0
- package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-cylinder.js +2 -2
- package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-line.d.ts +10 -0
- package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-line.js +2 -2
- package/lib/commonjs/mol-repr/structure/visual/carbohydrate-link-cylinder.d.ts +10 -0
- package/lib/commonjs/mol-repr/structure/visual/carbohydrate-symbol-mesh.d.ts +10 -0
- package/lib/commonjs/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.d.ts +10 -0
- package/lib/commonjs/mol-repr/structure/visual/element-cross.d.ts +10 -0
- package/lib/commonjs/mol-repr/structure/visual/element-point.d.ts +10 -0
- package/lib/commonjs/mol-repr/structure/visual/element-sphere.d.ts +20 -0
- package/lib/commonjs/mol-repr/structure/visual/ellipsoid-mesh.d.ts +10 -0
- package/lib/commonjs/mol-repr/structure/visual/gaussian-density-volume.d.ts +22 -38
- package/lib/commonjs/mol-repr/structure/visual/gaussian-density-volume.js +8 -6
- package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-mesh.d.ts +40 -0
- package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-mesh.js +11 -8
- package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-wireframe.d.ts +10 -0
- package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-wireframe.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/label-text.d.ts +10 -0
- package/lib/commonjs/mol-repr/structure/visual/label-text.js +1 -2
- package/lib/commonjs/mol-repr/structure/visual/molecular-surface-mesh.d.ts +10 -0
- package/lib/commonjs/mol-repr/structure/visual/molecular-surface-mesh.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/molecular-surface-wireframe.d.ts +10 -0
- package/lib/commonjs/mol-repr/structure/visual/molecular-surface-wireframe.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/nucleotide-block-mesh.d.ts +10 -0
- package/lib/commonjs/mol-repr/structure/visual/nucleotide-ring-mesh.d.ts +10 -0
- package/lib/commonjs/mol-repr/structure/visual/orientation-ellipsoid-mesh.d.ts +10 -0
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- package/lib/mol-repr/structure/visual/bond-intra-unit-line.js +2 -2
- package/lib/mol-repr/structure/visual/carbohydrate-link-cylinder.d.ts +10 -0
- package/lib/mol-repr/structure/visual/carbohydrate-symbol-mesh.d.ts +10 -0
- package/lib/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.d.ts +10 -0
- package/lib/mol-repr/structure/visual/element-cross.d.ts +10 -0
- package/lib/mol-repr/structure/visual/element-point.d.ts +10 -0
- package/lib/mol-repr/structure/visual/element-sphere.d.ts +20 -0
- package/lib/mol-repr/structure/visual/ellipsoid-mesh.d.ts +10 -0
- package/lib/mol-repr/structure/visual/gaussian-density-volume.d.ts +22 -38
- package/lib/mol-repr/structure/visual/gaussian-density-volume.js +8 -6
- package/lib/mol-repr/structure/visual/gaussian-surface-mesh.d.ts +40 -0
- package/lib/mol-repr/structure/visual/gaussian-surface-mesh.js +11 -8
- package/lib/mol-repr/structure/visual/gaussian-surface-wireframe.d.ts +10 -0
- package/lib/mol-repr/structure/visual/gaussian-surface-wireframe.js +1 -1
- package/lib/mol-repr/structure/visual/label-text.d.ts +10 -0
- package/lib/mol-repr/structure/visual/label-text.js +1 -2
- package/lib/mol-repr/structure/visual/molecular-surface-mesh.d.ts +10 -0
- package/lib/mol-repr/structure/visual/molecular-surface-mesh.js +1 -1
- package/lib/mol-repr/structure/visual/molecular-surface-wireframe.d.ts +10 -0
- package/lib/mol-repr/structure/visual/molecular-surface-wireframe.js +1 -1
- package/lib/mol-repr/structure/visual/nucleotide-block-mesh.d.ts +10 -0
- package/lib/mol-repr/structure/visual/nucleotide-ring-mesh.d.ts +10 -0
- package/lib/mol-repr/structure/visual/orientation-ellipsoid-mesh.d.ts +10 -0
- package/lib/mol-repr/structure/visual/polymer-backbone-cylinder.d.ts +20 -0
- package/lib/mol-repr/structure/visual/polymer-backbone-sphere.d.ts +20 -0
- package/lib/mol-repr/structure/visual/polymer-direction-wedge.d.ts +10 -0
- package/lib/mol-repr/structure/visual/polymer-gap-cylinder.d.ts +10 -0
- package/lib/mol-repr/structure/visual/polymer-trace-mesh.d.ts +10 -0
- package/lib/mol-repr/structure/visual/polymer-trace-mesh.js +1 -1
- package/lib/mol-repr/structure/visual/polymer-tube-mesh.d.ts +10 -0
- package/lib/mol-repr/structure/visual/util/bond.js +1 -1
- package/lib/mol-repr/structure/visual/util/common.d.ts +3 -2
- package/lib/mol-repr/structure/visual/util/common.js +2 -5
- package/lib/mol-repr/structure/visual/util/gaussian.d.ts +7 -6
- package/lib/mol-repr/structure/visual/util/gaussian.js +12 -12
- package/lib/mol-repr/structure/visual/util/molecular-surface.d.ts +2 -1
- package/lib/mol-repr/structure/visual/util/molecular-surface.js +4 -4
- package/lib/mol-repr/visual.js +11 -7
- package/lib/mol-repr/volume/direct-volume.d.ts +33 -57
- package/lib/mol-repr/volume/direct-volume.js +8 -12
- package/lib/mol-repr/volume/isosurface.d.ts +60 -0
- package/lib/mol-repr/volume/isosurface.js +11 -2
- package/lib/mol-repr/volume/registry.d.ts +31 -19
- package/lib/mol-repr/volume/representation.d.ts +10 -0
- package/lib/mol-repr/volume/slice.d.ts +30 -0
- package/lib/mol-repr/volume/slice.js +2 -2
- package/lib/mol-repr/volume/util.js +2 -2
- package/lib/mol-script/language/builder.d.ts +0 -1
- package/lib/mol-theme/clipping.d.ts +7 -15
- package/lib/mol-theme/clipping.js +5 -12
- package/lib/mol-theme/color/volume-value.d.ts +17 -0
- package/lib/mol-theme/color/volume-value.js +52 -0
- package/lib/mol-theme/color.d.ts +3 -0
- package/lib/mol-theme/color.js +2 -0
- package/lib/mol-util/clip.d.ts +49 -0
- package/lib/mol-util/clip.js +93 -0
- package/lib/mol-util/number-packing.d.ts +11 -0
- package/lib/mol-util/{float-packing.js → number-packing.js} +7 -14
- package/package.json +162 -162
- package/lib/commonjs/mol-util/float-packing.d.ts +0 -15
- package/lib/mol-util/float-packing.d.ts +0 -15
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export interface UnitsMeshVisualBuilder<P extends UnitsMeshParams> extends UnitsVisualBuilder<P, Mesh> {
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export interface UnitsSpheresVisualBuilder<P extends UnitsSpheresParams> extends UnitsVisualBuilder<P, Spheres> {
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export interface UnitsCylindersVisualBuilder<P extends UnitsCylindersParams> extends UnitsVisualBuilder<P, Cylinders> {
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export interface UnitsPointVisualBuilder<P extends UnitsPointsParams> extends UnitsVisualBuilder<P, Points> {
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export interface UnitsLinesVisualBuilder<P extends UnitsLinesParams> extends UnitsVisualBuilder<P, Lines> {
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export declare const UnitsDirectVolumeParams: {
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unitKinds: PD.MultiSelect<"spheres" | "gaussians" | "atomic">;
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};
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}>, "volume"> | PD.NamedParams<PD.Normalize<{
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export interface UnitsDirectVolumeVisualBuilder<P extends UnitsDirectVolumeParams> extends UnitsVisualBuilder<P, DirectVolume> {
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export interface UnitsTextureMeshVisualBuilder<P extends UnitsTextureMeshParams> extends UnitsVisualBuilder<P, TextureMesh> {
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@@ -42,6 +42,16 @@ export declare const InterUnitBondCylinderParams: {
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};
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@@ -81,6 +91,16 @@ export declare function InterUnitBondCylinderVisual(materialId: number, structur
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export declare type InterUnitBondLineParams = typeof InterUnitBondLineParams;
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export declare function InterUnitBondLineVisual(materialId: number): ComplexVisual<InterUnitBondLineParams>;
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@@ -43,6 +43,16 @@ export declare const IntraUnitBondCylinderParams: {
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@@ -82,6 +92,16 @@ export declare function IntraUnitBondCylinderVisual(materialId: number, structur
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}>;
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@@ -71,13 +71,13 @@ function getIntraUnitBondCylinderBuilderProps(unit, structure, theme, props) {
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_a = [bI, aI], aI = _a[0], bI = _a[1];
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if (offset[aI + 1] - offset[aI] === 1)
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_b = [bI, aI], aI = _b[0], bI = _b[1];
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var aR = elementRingIndices.get(aI);
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var aR = elementAromaticRingIndices.get(aI) || elementRingIndices.get(aI);
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var _bI = b[i];
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if (_bI !== bI && _bI !== aI) {
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if (aR) {
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var _bR = elementRingIndices.get(_bI);
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var _bR = elementAromaticRingIndices.get(_bI) || elementRingIndices.get(_bI);
|
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|
if (!_bR)
|
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|
continue;
|
|
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|
var size = arrayIntersectionSize(aR, _bR);
|
|
@@ -26,6 +26,16 @@ export declare const IntraUnitBondLineParams: {
|
|
|
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|
roughness: number;
|
|
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|
bumpiness: number;
|
|
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|
}>>;
|
|
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|
+
clip: PD.Group<PD.Normalize<{
|
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|
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variant: import("../../../mol-util/clip").Clip.Variant;
|
|
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objects: PD.Normalize<{
|
|
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type: any;
|
|
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|
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invert: any;
|
|
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|
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position: any;
|
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rotation: any;
|
|
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|
+
scale: any;
|
|
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|
+
}>[];
|
|
38
|
+
}>>;
|
|
29
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|
};
|
|
30
40
|
export declare type IntraUnitBondLineParams = typeof IntraUnitBondLineParams;
|
|
31
41
|
export declare function IntraUnitBondLineVisual(materialId: number): UnitsVisual<IntraUnitBondLineParams>;
|
|
@@ -50,13 +50,13 @@ function createIntraUnitBondLines(ctx, unit, structure, theme, props, lines) {
|
|
|
50
50
|
_a = [bI, aI], aI = _a[0], bI = _a[1];
|
|
51
51
|
if (offset[aI + 1] - offset[aI] === 1)
|
|
52
52
|
_b = [bI, aI], aI = _b[0], bI = _b[1];
|
|
53
|
-
var aR = elementRingIndices.get(aI);
|
|
53
|
+
var aR = elementAromaticRingIndices.get(aI) || elementRingIndices.get(aI);
|
|
54
54
|
var maxSize = 0;
|
|
55
55
|
for (var i = offset[aI], il = offset[aI + 1]; i < il; ++i) {
|
|
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56
|
var _bI = b[i];
|
|
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57
|
if (_bI !== bI && _bI !== aI) {
|
|
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58
|
if (aR) {
|
|
59
|
-
var _bR = elementRingIndices.get(_bI);
|
|
59
|
+
var _bR = elementAromaticRingIndices.get(_bI) || elementRingIndices.get(_bI);
|
|
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|
if (!_bR)
|
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|
continue;
|
|
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|
var size = arrayIntersectionSize(aR, _bR);
|
|
@@ -34,6 +34,16 @@ export declare const CarbohydrateLinkParams: {
|
|
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|
roughness: number;
|
|
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|
bumpiness: number;
|
|
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|
}>>;
|
|
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|
+
clip: PD.Group<PD.Normalize<{
|
|
38
|
+
variant: import("../../../mol-util/clip").Clip.Variant;
|
|
39
|
+
objects: PD.Normalize<{
|
|
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|
+
type: any;
|
|
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|
+
invert: any;
|
|
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|
+
position: any;
|
|
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|
+
rotation: any;
|
|
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|
+
scale: any;
|
|
45
|
+
}>[];
|
|
46
|
+
}>>;
|
|
37
47
|
};
|
|
38
48
|
export declare type CarbohydrateLinkParams = typeof CarbohydrateLinkParams;
|
|
39
49
|
export declare function CarbohydrateLinkVisual(materialId: number): ComplexVisual<CarbohydrateLinkParams>;
|
|
@@ -24,6 +24,16 @@ export declare const CarbohydrateSymbolParams: {
|
|
|
24
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|
roughness: number;
|
|
25
25
|
bumpiness: number;
|
|
26
26
|
}>>;
|
|
27
|
+
clip: PD.Group<PD.Normalize<{
|
|
28
|
+
variant: import("../../../mol-util/clip").Clip.Variant;
|
|
29
|
+
objects: PD.Normalize<{
|
|
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|
+
type: any;
|
|
31
|
+
invert: any;
|
|
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|
+
position: any;
|
|
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|
+
rotation: any;
|
|
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|
+
scale: any;
|
|
35
|
+
}>[];
|
|
36
|
+
}>>;
|
|
27
37
|
};
|
|
28
38
|
export declare type CarbohydrateSymbolParams = typeof CarbohydrateSymbolParams;
|
|
29
39
|
export declare function CarbohydrateSymbolVisual(materialId: number): ComplexVisual<CarbohydrateSymbolParams>;
|
|
@@ -34,6 +34,16 @@ export declare const CarbohydrateTerminalLinkParams: {
|
|
|
34
34
|
roughness: number;
|
|
35
35
|
bumpiness: number;
|
|
36
36
|
}>>;
|
|
37
|
+
clip: PD.Group<PD.Normalize<{
|
|
38
|
+
variant: import("../../../mol-util/clip").Clip.Variant;
|
|
39
|
+
objects: PD.Normalize<{
|
|
40
|
+
type: any;
|
|
41
|
+
invert: any;
|
|
42
|
+
position: any;
|
|
43
|
+
rotation: any;
|
|
44
|
+
scale: any;
|
|
45
|
+
}>[];
|
|
46
|
+
}>>;
|
|
37
47
|
};
|
|
38
48
|
export declare type CarbohydrateTerminalLinkParams = typeof CarbohydrateTerminalLinkParams;
|
|
39
49
|
export declare function CarbohydrateTerminalLinkVisual(materialId: number): ComplexVisual<CarbohydrateTerminalLinkParams>;
|
|
@@ -25,6 +25,16 @@ export declare const ElementCrossParams: {
|
|
|
25
25
|
roughness: number;
|
|
26
26
|
bumpiness: number;
|
|
27
27
|
}>>;
|
|
28
|
+
clip: PD.Group<PD.Normalize<{
|
|
29
|
+
variant: import("../../../mol-util/clip").Clip.Variant;
|
|
30
|
+
objects: PD.Normalize<{
|
|
31
|
+
type: any;
|
|
32
|
+
invert: any;
|
|
33
|
+
position: any;
|
|
34
|
+
rotation: any;
|
|
35
|
+
scale: any;
|
|
36
|
+
}>[];
|
|
37
|
+
}>>;
|
|
28
38
|
};
|
|
29
39
|
export declare type ElementCrossParams = typeof ElementCrossParams;
|
|
30
40
|
export declare function createElementCross(ctx: VisualContext, unit: Unit, structure: Structure, theme: Theme, props: PD.Values<ElementCrossParams>, lines: Lines): Lines;
|
|
@@ -24,6 +24,16 @@ export declare const ElementPointParams: {
|
|
|
24
24
|
roughness: number;
|
|
25
25
|
bumpiness: number;
|
|
26
26
|
}>>;
|
|
27
|
+
clip: PD.Group<PD.Normalize<{
|
|
28
|
+
variant: import("../../../mol-util/clip").Clip.Variant;
|
|
29
|
+
objects: PD.Normalize<{
|
|
30
|
+
type: any;
|
|
31
|
+
invert: any;
|
|
32
|
+
position: any;
|
|
33
|
+
rotation: any;
|
|
34
|
+
scale: any;
|
|
35
|
+
}>[];
|
|
36
|
+
}>>;
|
|
27
37
|
};
|
|
28
38
|
export declare type ElementPointParams = typeof ElementPointParams;
|
|
29
39
|
export declare function createElementPoint(ctx: VisualContext, unit: Unit, structure: Structure, theme: Theme, props: PD.Values<ElementPointParams>, points: Points): Points;
|
|
@@ -28,6 +28,16 @@ export declare const ElementSphereParams: {
|
|
|
28
28
|
roughness: number;
|
|
29
29
|
bumpiness: number;
|
|
30
30
|
}>>;
|
|
31
|
+
clip: PD.Group<PD.Normalize<{
|
|
32
|
+
variant: import("../../../mol-util/clip").Clip.Variant;
|
|
33
|
+
objects: PD.Normalize<{
|
|
34
|
+
type: any;
|
|
35
|
+
invert: any;
|
|
36
|
+
position: any;
|
|
37
|
+
rotation: any;
|
|
38
|
+
scale: any;
|
|
39
|
+
}>[];
|
|
40
|
+
}>>;
|
|
31
41
|
flipSided: PD.BooleanParam;
|
|
32
42
|
flatShaded: PD.BooleanParam;
|
|
33
43
|
};
|
|
@@ -52,6 +62,16 @@ export declare function ElementSphereVisual(materialId: number, structure: Struc
|
|
|
52
62
|
roughness: number;
|
|
53
63
|
bumpiness: number;
|
|
54
64
|
}>>;
|
|
65
|
+
clip: PD.Group<PD.Normalize<{
|
|
66
|
+
variant: import("../../../mol-util/clip").Clip.Variant;
|
|
67
|
+
objects: PD.Normalize<{
|
|
68
|
+
type: any;
|
|
69
|
+
invert: any;
|
|
70
|
+
position: any;
|
|
71
|
+
rotation: any;
|
|
72
|
+
scale: any;
|
|
73
|
+
}>[];
|
|
74
|
+
}>>;
|
|
55
75
|
flipSided: PD.BooleanParam;
|
|
56
76
|
flatShaded: PD.BooleanParam;
|
|
57
77
|
}>;
|
|
@@ -29,6 +29,16 @@ export declare const EllipsoidMeshParams: {
|
|
|
29
29
|
roughness: number;
|
|
30
30
|
bumpiness: number;
|
|
31
31
|
}>>;
|
|
32
|
+
clip: PD.Group<PD.Normalize<{
|
|
33
|
+
variant: import("../../../mol-util/clip").Clip.Variant;
|
|
34
|
+
objects: PD.Normalize<{
|
|
35
|
+
type: any;
|
|
36
|
+
invert: any;
|
|
37
|
+
position: any;
|
|
38
|
+
rotation: any;
|
|
39
|
+
scale: any;
|
|
40
|
+
}>[];
|
|
41
|
+
}>>;
|
|
32
42
|
};
|
|
33
43
|
export declare type EllipsoidMeshParams = typeof EllipsoidMeshParams;
|
|
34
44
|
export declare function EllipsoidMeshVisual(materialId: number): UnitsVisual<EllipsoidMeshParams>;
|
|
@@ -14,27 +14,9 @@ export declare const GaussianDensityVolumeParams: {
|
|
|
14
14
|
radiusOffset: PD.Numeric;
|
|
15
15
|
smoothness: PD.Numeric;
|
|
16
16
|
unitKinds: PD.MultiSelect<"spheres" | "gaussians" | "atomic">;
|
|
17
|
-
doubleSided: PD.BooleanParam;
|
|
18
|
-
flipSided: PD.BooleanParam;
|
|
19
|
-
flatShaded: PD.BooleanParam;
|
|
20
17
|
ignoreLight: PD.BooleanParam;
|
|
21
18
|
xrayShaded: PD.BooleanParam;
|
|
22
|
-
|
|
23
|
-
controlPoints: import("../../../mol-math/linear-algebra/3d/vec2").Vec2[];
|
|
24
|
-
list: {
|
|
25
|
-
kind: "set" | "interpolate";
|
|
26
|
-
colors: import("../../../mol-util/color/color").ColorListEntry[];
|
|
27
|
-
};
|
|
28
|
-
}>, "volume"> | PD.NamedParams<PD.Normalize<{
|
|
29
|
-
isoValue: Readonly<{
|
|
30
|
-
kind: "absolute";
|
|
31
|
-
absoluteValue: number;
|
|
32
|
-
}> | Readonly<{
|
|
33
|
-
kind: "relative";
|
|
34
|
-
relativeValue: number;
|
|
35
|
-
}>;
|
|
36
|
-
singleLayer: boolean;
|
|
37
|
-
}>, "isosurface">>;
|
|
19
|
+
controlPoints: PD.LineGraph;
|
|
38
20
|
stepsPerCell: PD.Numeric;
|
|
39
21
|
jumpLength: PD.Numeric;
|
|
40
22
|
alpha: PD.Numeric;
|
|
@@ -44,6 +26,16 @@ export declare const GaussianDensityVolumeParams: {
|
|
|
44
26
|
roughness: number;
|
|
45
27
|
bumpiness: number;
|
|
46
28
|
}>>;
|
|
29
|
+
clip: PD.Group<PD.Normalize<{
|
|
30
|
+
variant: import("../../../mol-util/clip").Clip.Variant;
|
|
31
|
+
objects: PD.Normalize<{
|
|
32
|
+
type: any;
|
|
33
|
+
invert: any;
|
|
34
|
+
position: any;
|
|
35
|
+
rotation: any;
|
|
36
|
+
scale: any;
|
|
37
|
+
}>[];
|
|
38
|
+
}>>;
|
|
47
39
|
};
|
|
48
40
|
export declare type GaussianDensityVolumeParams = typeof GaussianDensityVolumeParams;
|
|
49
41
|
export declare function GaussianDensityVolumeVisual(materialId: number): ComplexVisual<GaussianDensityVolumeParams>;
|
|
@@ -55,27 +47,9 @@ export declare const UnitsGaussianDensityVolumeParams: {
|
|
|
55
47
|
radiusOffset: PD.Numeric;
|
|
56
48
|
smoothness: PD.Numeric;
|
|
57
49
|
unitKinds: PD.MultiSelect<"spheres" | "gaussians" | "atomic">;
|
|
58
|
-
doubleSided: PD.BooleanParam;
|
|
59
|
-
flipSided: PD.BooleanParam;
|
|
60
|
-
flatShaded: PD.BooleanParam;
|
|
61
50
|
ignoreLight: PD.BooleanParam;
|
|
62
51
|
xrayShaded: PD.BooleanParam;
|
|
63
|
-
|
|
64
|
-
controlPoints: import("../../../mol-math/linear-algebra/3d/vec2").Vec2[];
|
|
65
|
-
list: {
|
|
66
|
-
kind: "set" | "interpolate";
|
|
67
|
-
colors: import("../../../mol-util/color/color").ColorListEntry[];
|
|
68
|
-
};
|
|
69
|
-
}>, "volume"> | PD.NamedParams<PD.Normalize<{
|
|
70
|
-
isoValue: Readonly<{
|
|
71
|
-
kind: "absolute";
|
|
72
|
-
absoluteValue: number;
|
|
73
|
-
}> | Readonly<{
|
|
74
|
-
kind: "relative";
|
|
75
|
-
relativeValue: number;
|
|
76
|
-
}>;
|
|
77
|
-
singleLayer: boolean;
|
|
78
|
-
}>, "isosurface">>;
|
|
52
|
+
controlPoints: PD.LineGraph;
|
|
79
53
|
stepsPerCell: PD.Numeric;
|
|
80
54
|
jumpLength: PD.Numeric;
|
|
81
55
|
alpha: PD.Numeric;
|
|
@@ -85,6 +59,16 @@ export declare const UnitsGaussianDensityVolumeParams: {
|
|
|
85
59
|
roughness: number;
|
|
86
60
|
bumpiness: number;
|
|
87
61
|
}>>;
|
|
62
|
+
clip: PD.Group<PD.Normalize<{
|
|
63
|
+
variant: import("../../../mol-util/clip").Clip.Variant;
|
|
64
|
+
objects: PD.Normalize<{
|
|
65
|
+
type: any;
|
|
66
|
+
invert: any;
|
|
67
|
+
position: any;
|
|
68
|
+
rotation: any;
|
|
69
|
+
scale: any;
|
|
70
|
+
}>[];
|
|
71
|
+
}>>;
|
|
88
72
|
};
|
|
89
73
|
export declare type UnitsGaussianDensityVolumeParams = typeof UnitsGaussianDensityVolumeParams;
|
|
90
74
|
export declare function UnitsGaussianDensityVolumeVisual(materialId: number): UnitsVisual<UnitsGaussianDensityVolumeParams>;
|
|
@@ -15,7 +15,7 @@ import { UnitsDirectVolumeParams, UnitsDirectVolumeVisual } from '../units-visua
|
|
|
15
15
|
import { getStructureExtraRadius, getUnitExtraRadius } from './util/common';
|
|
16
16
|
function createGaussianDensityVolume(ctx, structure, theme, props, directVolume) {
|
|
17
17
|
return __awaiter(this, void 0, void 0, function () {
|
|
18
|
-
var runtime, webgl, oldTexture, densityTextureData, transform, texture, bbox, gridDim, stats, unitToCartn, cellDim, vol, sphere;
|
|
18
|
+
var runtime, webgl, oldTexture, densityTextureData, transform, texture, bbox, gridDim, stats, unitToCartn, cellDim, axisOrder, vol, sphere;
|
|
19
19
|
return __generator(this, function (_a) {
|
|
20
20
|
switch (_a.label) {
|
|
21
21
|
case 0:
|
|
@@ -24,14 +24,15 @@ function createGaussianDensityVolume(ctx, structure, theme, props, directVolume)
|
|
|
24
24
|
throw new Error('GaussianDensityVolume requires `webgl` and `blendMinMax` extension');
|
|
25
25
|
}
|
|
26
26
|
oldTexture = directVolume ? directVolume.gridTexture.ref.value : undefined;
|
|
27
|
-
return [4 /*yield*/, computeStructureGaussianDensityTexture(structure, props, webgl, oldTexture).runInContext(runtime)];
|
|
27
|
+
return [4 /*yield*/, computeStructureGaussianDensityTexture(structure, theme.size, props, webgl, oldTexture).runInContext(runtime)];
|
|
28
28
|
case 1:
|
|
29
29
|
densityTextureData = _a.sent();
|
|
30
30
|
transform = densityTextureData.transform, texture = densityTextureData.texture, bbox = densityTextureData.bbox, gridDim = densityTextureData.gridDim;
|
|
31
31
|
stats = { min: 0, max: 1, mean: 0.04, sigma: 0.01 };
|
|
32
32
|
unitToCartn = Mat4.mul(Mat4(), transform, Mat4.fromScaling(Mat4(), gridDim));
|
|
33
33
|
cellDim = Mat4.getScaling(Vec3(), transform);
|
|
34
|
-
|
|
34
|
+
axisOrder = Vec3.create(0, 1, 2);
|
|
35
|
+
vol = DirectVolume.create(bbox, gridDim, transform, unitToCartn, cellDim, texture, stats, true, axisOrder, directVolume);
|
|
35
36
|
sphere = Sphere3D.expand(Sphere3D(), structure.boundary.sphere, props.radiusOffset + getStructureExtraRadius(structure));
|
|
36
37
|
vol.setBoundingSphere(sphere);
|
|
37
38
|
return [2 /*return*/, vol];
|
|
@@ -69,7 +70,7 @@ export function GaussianDensityVolumeVisual(materialId) {
|
|
|
69
70
|
//
|
|
70
71
|
function createUnitsGaussianDensityVolume(ctx, unit, structure, theme, props, directVolume) {
|
|
71
72
|
return __awaiter(this, void 0, void 0, function () {
|
|
72
|
-
var runtime, webgl, oldTexture, densityTextureData, transform, texture, bbox, gridDim, stats, unitToCartn, cellDim, vol, sphere;
|
|
73
|
+
var runtime, webgl, oldTexture, densityTextureData, transform, texture, bbox, gridDim, stats, unitToCartn, cellDim, axisOrder, vol, sphere;
|
|
73
74
|
return __generator(this, function (_a) {
|
|
74
75
|
switch (_a.label) {
|
|
75
76
|
case 0:
|
|
@@ -81,14 +82,15 @@ function createUnitsGaussianDensityVolume(ctx, unit, structure, theme, props, di
|
|
|
81
82
|
throw new Error('GaussianDensityVolume requires `webgl`');
|
|
82
83
|
}
|
|
83
84
|
oldTexture = directVolume ? directVolume.gridTexture.ref.value : undefined;
|
|
84
|
-
return [4 /*yield*/, computeUnitGaussianDensityTexture(structure, unit, props, webgl, oldTexture).runInContext(runtime)];
|
|
85
|
+
return [4 /*yield*/, computeUnitGaussianDensityTexture(structure, unit, theme.size, props, webgl, oldTexture).runInContext(runtime)];
|
|
85
86
|
case 1:
|
|
86
87
|
densityTextureData = _a.sent();
|
|
87
88
|
transform = densityTextureData.transform, texture = densityTextureData.texture, bbox = densityTextureData.bbox, gridDim = densityTextureData.gridDim;
|
|
88
89
|
stats = { min: 0, max: 1, mean: 0.04, sigma: 0.01 };
|
|
89
90
|
unitToCartn = Mat4.mul(Mat4(), transform, Mat4.fromScaling(Mat4(), gridDim));
|
|
90
91
|
cellDim = Mat4.getScaling(Vec3(), transform);
|
|
91
|
-
|
|
92
|
+
axisOrder = Vec3.create(0, 1, 2);
|
|
93
|
+
vol = DirectVolume.create(bbox, gridDim, transform, unitToCartn, cellDim, texture, stats, true, axisOrder, directVolume);
|
|
92
94
|
sphere = Sphere3D.expand(Sphere3D(), unit.boundary.sphere, props.radiusOffset + getUnitExtraRadius(unit));
|
|
93
95
|
vol.setBoundingSphere(sphere);
|
|
94
96
|
return [2 /*return*/, vol];
|
|
@@ -35,6 +35,16 @@ export declare const GaussianSurfaceMeshParams: {
|
|
|
35
35
|
roughness: number;
|
|
36
36
|
bumpiness: number;
|
|
37
37
|
}>>;
|
|
38
|
+
clip: PD.Group<PD.Normalize<{
|
|
39
|
+
variant: import("../../../mol-util/clip").Clip.Variant;
|
|
40
|
+
objects: PD.Normalize<{
|
|
41
|
+
type: any;
|
|
42
|
+
invert: any;
|
|
43
|
+
position: any;
|
|
44
|
+
rotation: any;
|
|
45
|
+
scale: any;
|
|
46
|
+
}>[];
|
|
47
|
+
}>>;
|
|
38
48
|
};
|
|
39
49
|
export declare type GaussianSurfaceMeshParams = typeof GaussianSurfaceMeshParams;
|
|
40
50
|
export declare const StructureGaussianSurfaceMeshParams: {
|
|
@@ -64,6 +74,16 @@ export declare const StructureGaussianSurfaceMeshParams: {
|
|
|
64
74
|
roughness: number;
|
|
65
75
|
bumpiness: number;
|
|
66
76
|
}>>;
|
|
77
|
+
clip: PD.Group<PD.Normalize<{
|
|
78
|
+
variant: import("../../../mol-util/clip").Clip.Variant;
|
|
79
|
+
objects: PD.Normalize<{
|
|
80
|
+
type: any;
|
|
81
|
+
invert: any;
|
|
82
|
+
position: any;
|
|
83
|
+
rotation: any;
|
|
84
|
+
scale: any;
|
|
85
|
+
}>[];
|
|
86
|
+
}>>;
|
|
67
87
|
};
|
|
68
88
|
export declare type StructureGaussianSurfaceMeshParams = typeof StructureGaussianSurfaceMeshParams;
|
|
69
89
|
export declare function GaussianSurfaceVisual(materialId: number, structure: Structure, props: PD.Values<GaussianSurfaceMeshParams>, webgl?: WebGLContext): UnitsVisual<{
|
|
@@ -93,6 +113,16 @@ export declare function GaussianSurfaceVisual(materialId: number, structure: Str
|
|
|
93
113
|
roughness: number;
|
|
94
114
|
bumpiness: number;
|
|
95
115
|
}>>;
|
|
116
|
+
clip: PD.Group<PD.Normalize<{
|
|
117
|
+
variant: import("../../../mol-util/clip").Clip.Variant;
|
|
118
|
+
objects: PD.Normalize<{
|
|
119
|
+
type: any;
|
|
120
|
+
invert: any;
|
|
121
|
+
position: any;
|
|
122
|
+
rotation: any;
|
|
123
|
+
scale: any;
|
|
124
|
+
}>[];
|
|
125
|
+
}>>;
|
|
96
126
|
}>;
|
|
97
127
|
export declare function StructureGaussianSurfaceVisual(materialId: number, structure: Structure, props: PD.Values<StructureGaussianSurfaceMeshParams>, webgl?: WebGLContext): ComplexVisual<{
|
|
98
128
|
ignoreHydrogens: PD.BooleanParam;
|
|
@@ -121,6 +151,16 @@ export declare function StructureGaussianSurfaceVisual(materialId: number, struc
|
|
|
121
151
|
roughness: number;
|
|
122
152
|
bumpiness: number;
|
|
123
153
|
}>>;
|
|
154
|
+
clip: PD.Group<PD.Normalize<{
|
|
155
|
+
variant: import("../../../mol-util/clip").Clip.Variant;
|
|
156
|
+
objects: PD.Normalize<{
|
|
157
|
+
type: any;
|
|
158
|
+
invert: any;
|
|
159
|
+
position: any;
|
|
160
|
+
rotation: any;
|
|
161
|
+
scale: any;
|
|
162
|
+
}>[];
|
|
163
|
+
}>>;
|
|
124
164
|
}>;
|
|
125
165
|
export declare function GaussianSurfaceMeshVisual(materialId: number): UnitsVisual<GaussianSurfaceMeshParams>;
|
|
126
166
|
export declare function StructureGaussianSurfaceMeshVisual(materialId: number): ComplexVisual<StructureGaussianSurfaceMeshParams>;
|