molstar 3.0.0-dev.6 → 3.0.0
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/README.md +7 -0
- package/build/viewer/index.html +4 -0
- package/build/viewer/molstar.js +1 -1
- package/lib/apps/viewer/app.d.ts +230 -0
- package/lib/apps/viewer/app.js +525 -0
- package/lib/apps/viewer/index.d.ts +2 -224
- package/lib/apps/viewer/index.html +4 -0
- package/lib/apps/viewer/index.js +2 -507
- package/lib/commonjs/apps/viewer/app.d.ts +230 -0
- package/lib/commonjs/apps/viewer/app.js +531 -0
- package/lib/commonjs/apps/viewer/index.d.ts +2 -224
- package/lib/commonjs/apps/viewer/index.js +2 -510
- package/lib/commonjs/examples/alpha-orbitals/index.js +1 -1
- package/lib/commonjs/examples/basic-wrapper/index.js +7 -3
- package/lib/commonjs/examples/proteopedia-wrapper/index.js +7 -1
- package/lib/commonjs/extensions/anvil/behavior.d.ts +4 -0
- package/lib/commonjs/extensions/anvil/representation.d.ts +50 -0
- package/lib/commonjs/extensions/anvil/representation.js +1 -1
- 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-export/export.d.ts +9 -0
- package/lib/commonjs/extensions/model-export/export.js +129 -0
- package/lib/commonjs/extensions/model-export/index.d.ts +7 -0
- package/lib/commonjs/extensions/model-export/index.js +36 -0
- package/lib/commonjs/extensions/model-export/ui.d.ts +11 -0
- package/lib/commonjs/extensions/model-export/ui.js +77 -0
- package/lib/commonjs/extensions/mp4-export/encoder.js +1 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.d.ts +6 -2
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.d.ts +10 -0
- package/lib/commonjs/extensions/rcsb/graphql/types.d.ts +2 -2
- package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +50 -0
- package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +15 -13
- package/lib/commonjs/mol-canvas3d/canvas3d.js +34 -29
- package/lib/commonjs/mol-canvas3d/controls/trackball.d.ts +9 -4
- package/lib/commonjs/mol-canvas3d/controls/trackball.js +50 -11
- 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 +9 -2
- package/lib/commonjs/mol-canvas3d/passes/multi-sample.js +14 -12
- 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 +10 -0
- 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 +10 -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 +10 -0
- 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/bird.d.ts +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/bird.js +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/ccd.d.ts +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/ccd.js +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif.d.ts +2 -2
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif.js +1 -1
- package/lib/commonjs/mol-io/reader/mol/parser.d.ts +23 -1
- package/lib/commonjs/mol-io/reader/mol/parser.js +116 -4
- package/lib/commonjs/mol-io/reader/mol2/parser.d.ts +1 -1
- package/lib/commonjs/mol-io/reader/mol2/parser.js +33 -3
- package/lib/commonjs/mol-io/reader/mol2/schema.d.ts +12 -1
- package/lib/commonjs/mol-io/reader/mol2/schema.js +1 -1
- package/lib/commonjs/mol-io/reader/sdf/parser-v3-util.d.ts +6 -0
- package/lib/commonjs/mol-io/reader/sdf/parser-v3-util.js +9 -0
- package/lib/commonjs/mol-io/reader/sdf/parser.d.ts +3 -1
- package/lib/commonjs/mol-io/reader/sdf/parser.js +11 -2
- package/lib/commonjs/mol-io/writer/cif/encoder/binary.js +9 -2
- package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.js +2 -2
- package/lib/commonjs/mol-math/geometry/symmetry-operator.d.ts +1 -1
- package/lib/commonjs/mol-math/geometry/symmetry-operator.js +10 -4
- 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/export/mmcif.d.ts +1 -1
- package/lib/commonjs/mol-model/structure/export/mmcif.js +8 -5
- package/lib/commonjs/mol-model/structure/model/properties/common.d.ts +1 -1
- package/lib/commonjs/mol-model/structure/structure/element/stats.js +8 -0
- package/lib/commonjs/mol-model/structure/structure/properties.d.ts +1 -0
- package/lib/commonjs/mol-model/structure/structure/properties.js +2 -1
- package/lib/commonjs/mol-model/structure/structure/symmetry.js +1 -3
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/common.d.ts +2 -1
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/common.js +11 -2
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.d.ts +1 -1
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.js +20 -10
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/intra-compute.d.ts +1 -1
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/intra-compute.js +21 -11
- package/lib/commonjs/mol-model/structure/structure/util/superposition-db-mapping.js +10 -5
- package/lib/commonjs/mol-model-formats/shape/ply.d.ts +20 -0
- package/lib/commonjs/mol-model-formats/structure/basic/atomic.d.ts +2 -2
- package/lib/commonjs/mol-model-formats/structure/basic/atomic.js +6 -6
- package/lib/commonjs/mol-model-formats/structure/basic/coarse.d.ts +1 -1
- package/lib/commonjs/mol-model-formats/structure/basic/coarse.js +3 -3
- package/lib/commonjs/mol-model-formats/structure/basic/entities.d.ts +2 -1
- package/lib/commonjs/mol-model-formats/structure/basic/entities.js +28 -24
- package/lib/commonjs/mol-model-formats/structure/basic/parser.js +17 -8
- package/lib/commonjs/mol-model-formats/structure/basic/properties.d.ts +6 -1
- package/lib/commonjs/mol-model-formats/structure/basic/properties.js +12 -22
- package/lib/commonjs/mol-model-formats/structure/mol.d.ts +2 -1
- package/lib/commonjs/mol-model-formats/structure/mol.js +19 -5
- package/lib/commonjs/mol-model-formats/structure/mol2.d.ts +1 -1
- package/lib/commonjs/mol-model-formats/structure/mol2.js +37 -7
- package/lib/commonjs/mol-model-formats/structure/property/bonds/index-pair.d.ts +18 -1
- package/lib/commonjs/mol-model-formats/structure/property/bonds/index-pair.js +18 -5
- package/lib/commonjs/mol-model-props/common/custom-property.d.ts +1 -1
- 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 +11 -1
- package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js +25 -10
- 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-model-props/sequence/best-database-mapping.js +15 -15
- package/lib/commonjs/mol-plugin/animation-loop.d.ts +2 -0
- package/lib/commonjs/mol-plugin/animation-loop.js +1 -1
- 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/commands.d.ts +7 -6
- package/lib/commonjs/mol-plugin/config.d.ts +1 -2
- package/lib/commonjs/mol-plugin/config.js +4 -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.d.ts +1 -1
- package/lib/commonjs/mol-plugin/spec.js +4 -1
- package/lib/commonjs/mol-plugin/util/viewport-screenshot.d.ts +12 -0
- package/lib/commonjs/mol-plugin-state/actions/file.d.ts +3 -2
- package/lib/commonjs/mol-plugin-state/actions/file.js +67 -31
- package/lib/commonjs/mol-plugin-state/actions/structure.d.ts +1 -0
- package/lib/commonjs/mol-plugin-state/actions/structure.js +41 -8
- package/lib/commonjs/mol-plugin-state/animation/built-in/camera-rock.d.ts +16 -0
- package/lib/commonjs/mol-plugin-state/animation/built-in/camera-rock.js +62 -0
- package/lib/commonjs/mol-plugin-state/animation/built-in/camera-spin.d.ts +1 -1
- package/lib/commonjs/mol-plugin-state/animation/built-in/camera-spin.js +9 -8
- package/lib/commonjs/mol-plugin-state/animation/model.d.ts +4 -0
- package/lib/commonjs/mol-plugin-state/builder/structure/hierarchy-preset.d.ts +6 -6
- package/lib/commonjs/mol-plugin-state/builder/structure/hierarchy.d.ts +1 -1
- package/lib/commonjs/mol-plugin-state/builder/structure/representation-preset.d.ts +149 -5
- package/lib/commonjs/mol-plugin-state/builder/structure/representation-preset.js +74 -2
- 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/manager/animation.d.ts +5 -1
- package/lib/commonjs/mol-plugin-state/manager/animation.js +5 -5
- 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/structure/superposition.js +2 -2
- package/lib/commonjs/mol-plugin-ui/viewport/simple-settings.d.ts +1 -1
- package/lib/commonjs/mol-plugin-ui/viewport/simple-settings.js +6 -14
- 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-line.d.ts +10 -0
- package/lib/commonjs/mol-repr/structure/visual/carbohydrate-link-cylinder.d.ts +11 -1
- package/lib/commonjs/mol-repr/structure/visual/carbohydrate-link-cylinder.js +8 -4
- package/lib/commonjs/mol-repr/structure/visual/carbohydrate-symbol-mesh.d.ts +11 -1
- package/lib/commonjs/mol-repr/structure/visual/carbohydrate-symbol-mesh.js +10 -6
- package/lib/commonjs/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.d.ts +11 -1
- package/lib/commonjs/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.js +8 -4
- 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
- package/lib/commonjs/mol-repr/structure/visual/polymer-backbone-cylinder.d.ts +20 -0
- package/lib/commonjs/mol-repr/structure/visual/polymer-backbone-sphere.d.ts +20 -0
- package/lib/commonjs/mol-repr/structure/visual/polymer-direction-wedge.d.ts +10 -0
- package/lib/commonjs/mol-repr/structure/visual/polymer-gap-cylinder.d.ts +10 -0
- package/lib/commonjs/mol-repr/structure/visual/polymer-trace-mesh.d.ts +10 -0
- package/lib/commonjs/mol-repr/structure/visual/polymer-tube-mesh.d.ts +10 -0
- package/lib/commonjs/mol-repr/structure/visual/util/common.d.ts +3 -2
- package/lib/commonjs/mol-repr/structure/visual/util/common.js +2 -5
- package/lib/commonjs/mol-repr/structure/visual/util/gaussian.d.ts +7 -6
- package/lib/commonjs/mol-repr/structure/visual/util/gaussian.js +12 -12
- package/lib/commonjs/mol-repr/structure/visual/util/molecular-surface.d.ts +2 -1
- package/lib/commonjs/mol-repr/structure/visual/util/molecular-surface.js +4 -4
- package/lib/commonjs/mol-repr/visual.d.ts +1 -1
- package/lib/commonjs/mol-repr/visual.js +13 -8
- package/lib/commonjs/mol-repr/volume/direct-volume.d.ts +33 -57
- package/lib/commonjs/mol-repr/volume/direct-volume.js +8 -12
- package/lib/commonjs/mol-repr/volume/isosurface.d.ts +60 -0
- package/lib/commonjs/mol-repr/volume/isosurface.js +11 -2
- package/lib/commonjs/mol-repr/volume/registry.d.ts +31 -19
- package/lib/commonjs/mol-repr/volume/representation.d.ts +10 -0
- package/lib/commonjs/mol-repr/volume/slice.d.ts +30 -0
- package/lib/commonjs/mol-repr/volume/slice.js +2 -2
- package/lib/commonjs/mol-repr/volume/util.js +2 -2
- package/lib/commonjs/mol-state/tree/immutable.d.ts +18 -0
- package/lib/commonjs/mol-state/tree/transient.d.ts +3 -4
- package/lib/commonjs/mol-theme/clipping.d.ts +7 -15
- package/lib/commonjs/mol-theme/clipping.js +5 -12
- package/lib/commonjs/mol-theme/color/element-symbol.d.ts +243 -1
- package/lib/commonjs/mol-theme/color/element-symbol.js +10 -5
- package/lib/commonjs/mol-theme/color/entity-id.d.ts +1 -1
- package/lib/commonjs/mol-theme/color/entity-id.js +26 -5
- package/lib/commonjs/mol-theme/color/illustrative.d.ts +100 -29
- package/lib/commonjs/mol-theme/color/illustrative.js +26 -7
- package/lib/commonjs/mol-theme/color/molecule-type.d.ts +19 -1
- package/lib/commonjs/mol-theme/color/molecule-type.js +10 -5
- package/lib/commonjs/mol-theme/color/residue-name.d.ts +77 -1
- package/lib/commonjs/mol-theme/color/residue-name.js +10 -5
- package/lib/commonjs/mol-theme/color/secondary-structure.d.ts +27 -1
- package/lib/commonjs/mol-theme/color/secondary-structure.js +10 -5
- package/lib/commonjs/mol-theme/color/volume-value.d.ts +17 -0
- package/lib/commonjs/mol-theme/color/volume-value.js +57 -0
- package/lib/commonjs/mol-theme/color.d.ts +233 -14
- package/lib/commonjs/mol-theme/color.js +2 -0
- package/lib/commonjs/mol-util/clip.d.ts +49 -0
- package/lib/commonjs/mol-util/clip.js +97 -0
- package/lib/commonjs/mol-util/color/color.d.ts +1 -1
- package/lib/commonjs/mol-util/color/color.js +1 -1
- package/lib/commonjs/mol-util/color/params.d.ts +10 -0
- package/lib/commonjs/mol-util/color/params.js +19 -0
- package/lib/commonjs/mol-util/number-packing.d.ts +11 -0
- package/lib/commonjs/mol-util/{float-packing.js → number-packing.js} +10 -19
- package/lib/examples/alpha-orbitals/index.js +1 -1
- package/lib/examples/basic-wrapper/index.js +7 -3
- package/lib/examples/proteopedia-wrapper/index.js +7 -1
- package/lib/extensions/anvil/behavior.d.ts +4 -0
- package/lib/extensions/anvil/representation.d.ts +50 -0
- package/lib/extensions/anvil/representation.js +1 -1
- package/lib/extensions/cellpack/representation.d.ts +10 -0
- package/lib/extensions/dnatco/confal-pyramids/representation.d.ts +30 -0
- package/lib/extensions/geo-export/mesh-exporter.js +4 -4
- package/lib/extensions/model-export/export.d.ts +9 -0
- package/lib/extensions/model-export/export.js +125 -0
- package/lib/extensions/model-export/index.d.ts +7 -0
- package/lib/extensions/model-export/index.js +33 -0
- package/lib/extensions/model-export/ui.d.ts +11 -0
- package/lib/extensions/model-export/ui.js +74 -0
- package/lib/extensions/mp4-export/encoder.js +1 -1
- package/lib/extensions/rcsb/assembly-symmetry/behavior.d.ts +6 -2
- package/lib/extensions/rcsb/assembly-symmetry/representation.d.ts +10 -0
- package/lib/extensions/rcsb/graphql/types.d.ts +2 -2
- package/lib/extensions/rcsb/validation-report/representation.d.ts +50 -0
- package/lib/mol-canvas3d/canvas3d.d.ts +15 -13
- package/lib/mol-canvas3d/canvas3d.js +34 -29
- package/lib/mol-canvas3d/controls/trackball.d.ts +9 -4
- package/lib/mol-canvas3d/controls/trackball.js +51 -12
- package/lib/mol-canvas3d/helper/bounding-sphere-helper.js +3 -2
- package/lib/mol-canvas3d/helper/camera-helper.d.ts +4 -0
- package/lib/mol-canvas3d/helper/camera-helper.js +2 -2
- package/lib/mol-canvas3d/helper/handle-helper.d.ts +4 -0
- package/lib/mol-canvas3d/helper/handle-helper.js +2 -2
- package/lib/mol-canvas3d/helper/helper.d.ts +2 -0
- package/lib/mol-canvas3d/passes/draw.d.ts +13 -1
- package/lib/mol-canvas3d/passes/draw.js +16 -15
- package/lib/mol-canvas3d/passes/image.d.ts +1 -0
- package/lib/mol-canvas3d/passes/image.js +3 -2
- package/lib/mol-canvas3d/passes/marking.js +1 -1
- package/lib/mol-canvas3d/passes/multi-sample.d.ts +9 -2
- package/lib/mol-canvas3d/passes/multi-sample.js +14 -12
- package/lib/mol-canvas3d/passes/pick.js +11 -11
- package/lib/mol-canvas3d/passes/postprocessing.js +3 -3
- package/lib/mol-canvas3d/passes/smaa.js +1 -1
- package/lib/mol-geo/geometry/base.d.ts +18 -0
- package/lib/mol-geo/geometry/base.js +18 -1
- package/lib/mol-geo/geometry/clipping-data.d.ts +1 -3
- package/lib/mol-geo/geometry/clipping-data.js +3 -8
- package/lib/mol-geo/geometry/color-data.d.ts +1 -1
- package/lib/mol-geo/geometry/color-data.js +22 -0
- package/lib/mol-geo/geometry/cylinders/cylinders.d.ts +10 -0
- package/lib/mol-geo/geometry/cylinders/cylinders.js +2 -2
- package/lib/mol-geo/geometry/direct-volume/direct-volume.d.ts +15 -38
- package/lib/mol-geo/geometry/direct-volume/direct-volume.js +22 -67
- package/lib/mol-geo/geometry/direct-volume/transfer-function.d.ts +2 -4
- package/lib/mol-geo/geometry/direct-volume/transfer-function.js +4 -7
- package/lib/mol-geo/geometry/image/image.d.ts +10 -0
- package/lib/mol-geo/geometry/image/image.js +1 -1
- package/lib/mol-geo/geometry/lines/lines.d.ts +10 -0
- package/lib/mol-geo/geometry/lines/lines.js +1 -1
- package/lib/mol-geo/geometry/marker-data.d.ts +0 -1
- package/lib/mol-geo/geometry/marker-data.js +13 -9
- package/lib/mol-geo/geometry/mesh/mesh.d.ts +10 -0
- package/lib/mol-geo/geometry/mesh/mesh.js +2 -2
- package/lib/mol-geo/geometry/points/points.d.ts +10 -0
- package/lib/mol-geo/geometry/points/points.js +1 -1
- package/lib/mol-geo/geometry/size-data.js +5 -5
- package/lib/mol-geo/geometry/spheres/spheres.d.ts +10 -0
- package/lib/mol-geo/geometry/spheres/spheres.js +2 -2
- package/lib/mol-geo/geometry/text/text.d.ts +10 -0
- package/lib/mol-geo/geometry/text/text.js +1 -1
- package/lib/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +10 -0
- package/lib/mol-geo/geometry/texture-mesh/texture-mesh.js +2 -2
- package/lib/mol-gl/compute/histogram-pyramid/sum.js +2 -2
- package/lib/mol-gl/compute/marching-cubes/isosurface.d.ts +2 -2
- package/lib/mol-gl/compute/marching-cubes/isosurface.js +10 -9
- package/lib/mol-gl/render-object.d.ts +2 -1
- package/lib/mol-gl/render-object.js +10 -10
- package/lib/mol-gl/renderable/cylinders.d.ts +11 -5
- package/lib/mol-gl/renderable/cylinders.js +3 -3
- package/lib/mol-gl/renderable/direct-volume.d.ts +15 -14
- package/lib/mol-gl/renderable/direct-volume.js +3 -3
- package/lib/mol-gl/renderable/image.d.ts +10 -4
- package/lib/mol-gl/renderable/image.js +2 -2
- package/lib/mol-gl/renderable/lines.d.ts +39 -33
- package/lib/mol-gl/renderable/lines.js +4 -4
- package/lib/mol-gl/renderable/mesh.d.ts +11 -5
- package/lib/mol-gl/renderable/mesh.js +3 -3
- package/lib/mol-gl/renderable/points.d.ts +10 -4
- package/lib/mol-gl/renderable/points.js +2 -2
- package/lib/mol-gl/renderable/schema.d.ts +10 -11
- package/lib/mol-gl/renderable/schema.js +4 -10
- package/lib/mol-gl/renderable/spheres.d.ts +11 -5
- package/lib/mol-gl/renderable/spheres.js +3 -3
- package/lib/mol-gl/renderable/text.d.ts +10 -4
- package/lib/mol-gl/renderable/text.js +2 -2
- package/lib/mol-gl/renderable/texture-mesh.d.ts +11 -6
- package/lib/mol-gl/renderable/texture-mesh.js +3 -3
- package/lib/mol-gl/renderable.d.ts +0 -1
- package/lib/mol-gl/renderer.d.ts +12 -12
- package/lib/mol-gl/renderer.js +24 -93
- package/lib/mol-gl/scene.d.ts +2 -2
- package/lib/mol-gl/scene.js +7 -5
- package/lib/mol-gl/shader/chunks/apply-light-color.glsl.d.ts +1 -1
- package/lib/mol-gl/shader/chunks/apply-light-color.glsl.js +1 -1
- package/lib/mol-gl/shader/chunks/assign-color-varying.glsl.d.ts +1 -1
- package/lib/mol-gl/shader/chunks/assign-color-varying.glsl.js +1 -1
- package/lib/mol-gl/shader/chunks/assign-group.glsl.d.ts +1 -1
- package/lib/mol-gl/shader/chunks/assign-group.glsl.js +1 -1
- package/lib/mol-gl/shader/chunks/assign-marker-varying.glsl.d.ts +1 -1
- package/lib/mol-gl/shader/chunks/assign-marker-varying.glsl.js +1 -1
- package/lib/mol-gl/shader/chunks/assign-material-color.glsl.d.ts +1 -1
- package/lib/mol-gl/shader/chunks/assign-material-color.glsl.js +1 -1
- package/lib/mol-gl/shader/chunks/assign-position.glsl.d.ts +1 -1
- package/lib/mol-gl/shader/chunks/assign-position.glsl.js +1 -1
- package/lib/mol-gl/shader/chunks/assign-size.glsl.d.ts +1 -1
- package/lib/mol-gl/shader/chunks/assign-size.glsl.js +1 -1
- package/lib/mol-gl/shader/chunks/color-frag-params.glsl.d.ts +1 -1
- package/lib/mol-gl/shader/chunks/color-frag-params.glsl.js +1 -1
- package/lib/mol-gl/shader/chunks/color-vert-params.glsl.d.ts +1 -1
- package/lib/mol-gl/shader/chunks/color-vert-params.glsl.js +1 -1
- package/lib/mol-gl/shader/chunks/common-frag-params.glsl.d.ts +1 -1
- package/lib/mol-gl/shader/chunks/common-frag-params.glsl.js +1 -1
- package/lib/mol-gl/shader/chunks/common-vert-params.glsl.d.ts +1 -1
- package/lib/mol-gl/shader/chunks/common-vert-params.glsl.js +1 -1
- package/lib/mol-gl/shader/chunks/common.glsl.d.ts +1 -1
- package/lib/mol-gl/shader/chunks/common.glsl.js +1 -1
- package/lib/mol-gl/shader/chunks/wboit-write.glsl.d.ts +1 -1
- package/lib/mol-gl/shader/chunks/wboit-write.glsl.js +1 -1
- package/lib/mol-gl/shader/compute/color-smoothing/accumulate.vert.d.ts +1 -1
- package/lib/mol-gl/shader/compute/color-smoothing/accumulate.vert.js +1 -1
- package/lib/mol-gl/shader/cylinders.frag.d.ts +1 -1
- package/lib/mol-gl/shader/cylinders.frag.js +1 -1
- package/lib/mol-gl/shader/direct-volume.frag.d.ts +1 -1
- package/lib/mol-gl/shader/direct-volume.frag.js +1 -1
- package/lib/mol-gl/shader/gaussian-density.frag.d.ts +1 -1
- package/lib/mol-gl/shader/gaussian-density.frag.js +1 -1
- package/lib/mol-gl/shader/histogram-pyramid/reduction.frag.d.ts +1 -1
- package/lib/mol-gl/shader/histogram-pyramid/reduction.frag.js +1 -1
- package/lib/mol-gl/shader/image.frag.d.ts +1 -1
- package/lib/mol-gl/shader/image.frag.js +1 -1
- package/lib/mol-gl/shader/marching-cubes/isosurface.frag.d.ts +1 -1
- package/lib/mol-gl/shader/marching-cubes/isosurface.frag.js +1 -1
- package/lib/mol-gl/shader/mesh.frag.d.ts +1 -1
- package/lib/mol-gl/shader/mesh.frag.js +1 -1
- package/lib/mol-gl/shader/mesh.vert.d.ts +1 -1
- package/lib/mol-gl/shader/mesh.vert.js +1 -1
- package/lib/mol-gl/shader/spheres.frag.d.ts +1 -1
- package/lib/mol-gl/shader/spheres.frag.js +1 -1
- package/lib/mol-gl/shader-code.d.ts +3 -1
- package/lib/mol-gl/shader-code.js +43 -14
- package/lib/mol-gl/webgl/render-item.d.ts +7 -6
- package/lib/mol-gl/webgl/render-item.js +8 -6
- package/lib/mol-gl/webgl/resources.js +8 -1
- package/lib/mol-io/reader/cif/schema/bird.d.ts +1 -1
- package/lib/mol-io/reader/cif/schema/bird.js +1 -1
- package/lib/mol-io/reader/cif/schema/ccd.d.ts +1 -1
- package/lib/mol-io/reader/cif/schema/ccd.js +1 -1
- package/lib/mol-io/reader/cif/schema/mmcif.d.ts +2 -2
- package/lib/mol-io/reader/cif/schema/mmcif.js +1 -1
- package/lib/mol-io/reader/mol/parser.d.ts +23 -1
- package/lib/mol-io/reader/mol/parser.js +112 -3
- package/lib/mol-io/reader/mol2/parser.d.ts +1 -1
- package/lib/mol-io/reader/mol2/parser.js +33 -3
- package/lib/mol-io/reader/mol2/schema.d.ts +12 -1
- package/lib/mol-io/reader/mol2/schema.js +1 -1
- package/lib/mol-io/reader/sdf/parser-v3-util.d.ts +6 -0
- package/lib/mol-io/reader/sdf/parser-v3-util.js +9 -0
- package/lib/mol-io/reader/sdf/parser.d.ts +3 -1
- package/lib/mol-io/reader/sdf/parser.js +12 -3
- package/lib/mol-io/writer/cif/encoder/binary.js +9 -2
- package/lib/mol-math/geometry/gaussian-density/gpu.js +2 -2
- package/lib/mol-math/geometry/symmetry-operator.d.ts +1 -1
- package/lib/mol-math/geometry/symmetry-operator.js +10 -4
- package/lib/mol-math/linear-algebra/3d/quat.d.ts +9 -1
- package/lib/mol-math/linear-algebra/3d/quat.js +20 -1
- package/lib/mol-model/structure/export/mmcif.d.ts +1 -1
- package/lib/mol-model/structure/export/mmcif.js +8 -5
- package/lib/mol-model/structure/model/properties/common.d.ts +1 -1
- package/lib/mol-model/structure/structure/element/stats.js +8 -0
- package/lib/mol-model/structure/structure/properties.d.ts +1 -0
- package/lib/mol-model/structure/structure/properties.js +2 -1
- package/lib/mol-model/structure/structure/symmetry.js +1 -3
- package/lib/mol-model/structure/structure/unit/bonds/common.d.ts +2 -1
- package/lib/mol-model/structure/structure/unit/bonds/common.js +9 -1
- package/lib/mol-model/structure/structure/unit/bonds/inter-compute.d.ts +1 -1
- package/lib/mol-model/structure/structure/unit/bonds/inter-compute.js +21 -11
- package/lib/mol-model/structure/structure/unit/bonds/intra-compute.d.ts +1 -1
- package/lib/mol-model/structure/structure/unit/bonds/intra-compute.js +22 -12
- package/lib/mol-model/structure/structure/util/superposition-db-mapping.js +10 -5
- package/lib/mol-model-formats/shape/ply.d.ts +20 -0
- package/lib/mol-model-formats/structure/basic/atomic.d.ts +2 -2
- package/lib/mol-model-formats/structure/basic/atomic.js +6 -6
- package/lib/mol-model-formats/structure/basic/coarse.d.ts +1 -1
- package/lib/mol-model-formats/structure/basic/coarse.js +3 -3
- package/lib/mol-model-formats/structure/basic/entities.d.ts +2 -1
- package/lib/mol-model-formats/structure/basic/entities.js +25 -22
- package/lib/mol-model-formats/structure/basic/parser.js +19 -10
- package/lib/mol-model-formats/structure/basic/properties.d.ts +6 -1
- package/lib/mol-model-formats/structure/basic/properties.js +12 -25
- package/lib/mol-model-formats/structure/mol.d.ts +2 -1
- package/lib/mol-model-formats/structure/mol.js +17 -3
- package/lib/mol-model-formats/structure/mol2.d.ts +1 -1
- package/lib/mol-model-formats/structure/mol2.js +37 -7
- package/lib/mol-model-formats/structure/property/bonds/index-pair.d.ts +18 -1
- package/lib/mol-model-formats/structure/property/bonds/index-pair.js +18 -5
- package/lib/mol-model-props/common/custom-property.d.ts +1 -1
- package/lib/mol-model-props/computed/representations/interactions-inter-unit-cylinder.d.ts +10 -0
- package/lib/mol-model-props/computed/representations/interactions-intra-unit-cylinder.d.ts +11 -1
- package/lib/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js +25 -10
- package/lib/mol-model-props/computed/representations/interactions.d.ts +30 -0
- package/lib/mol-model-props/integrative/cross-link-restraint/representation.d.ts +40 -0
- package/lib/mol-model-props/sequence/best-database-mapping.js +15 -15
- package/lib/mol-plugin/animation-loop.d.ts +2 -0
- package/lib/mol-plugin/animation-loop.js +1 -1
- package/lib/mol-plugin/behavior/dynamic/representation.js +4 -6
- package/lib/mol-plugin/behavior/dynamic/selection/structure-focus-representation.d.ts +11 -0
- package/lib/mol-plugin/behavior/dynamic/selection/structure-focus-representation.js +3 -1
- package/lib/mol-plugin/commands.d.ts +7 -6
- package/lib/mol-plugin/config.d.ts +1 -2
- package/lib/mol-plugin/config.js +3 -23
- package/lib/mol-plugin/features.d.ts +9 -0
- package/lib/mol-plugin/features.js +35 -0
- package/lib/mol-plugin/spec.d.ts +1 -1
- package/lib/mol-plugin/spec.js +4 -1
- package/lib/mol-plugin/util/viewport-screenshot.d.ts +12 -0
- package/lib/mol-plugin/version.js +2 -2
- package/lib/mol-plugin-state/actions/file.d.ts +3 -2
- package/lib/mol-plugin-state/actions/file.js +67 -31
- package/lib/mol-plugin-state/actions/structure.d.ts +1 -0
- package/lib/mol-plugin-state/actions/structure.js +41 -8
- package/lib/mol-plugin-state/animation/built-in/camera-rock.d.ts +16 -0
- package/lib/mol-plugin-state/animation/built-in/camera-rock.js +59 -0
- package/lib/mol-plugin-state/animation/built-in/camera-spin.d.ts +1 -1
- package/lib/mol-plugin-state/animation/built-in/camera-spin.js +9 -8
- package/lib/mol-plugin-state/animation/model.d.ts +4 -0
- package/lib/mol-plugin-state/builder/structure/hierarchy-preset.d.ts +6 -6
- package/lib/mol-plugin-state/builder/structure/hierarchy.d.ts +1 -1
- package/lib/mol-plugin-state/builder/structure/representation-preset.d.ts +149 -5
- package/lib/mol-plugin-state/builder/structure/representation-preset.js +74 -2
- package/lib/mol-plugin-state/helpers/structure-clipping.d.ts +1 -1
- package/lib/mol-plugin-state/helpers/structure-clipping.js +1 -1
- package/lib/mol-plugin-state/manager/animation.d.ts +5 -1
- package/lib/mol-plugin-state/manager/animation.js +5 -5
- package/lib/mol-plugin-state/manager/structure/component.d.ts +13 -1
- package/lib/mol-plugin-state/manager/structure/component.js +13 -8
- package/lib/mol-plugin-state/manager/structure/selection.js +3 -1
- package/lib/mol-plugin-state/transforms/representation.d.ts +32 -0
- package/lib/mol-plugin-state/transforms/representation.js +2 -2
- package/lib/mol-plugin-ui/structure/superposition.js +2 -2
- package/lib/mol-plugin-ui/viewport/simple-settings.d.ts +1 -1
- package/lib/mol-plugin-ui/viewport/simple-settings.js +6 -14
- package/lib/mol-repr/shape/loci/angle.d.ts +10 -0
- package/lib/mol-repr/shape/loci/common.d.ts +10 -0
- package/lib/mol-repr/shape/loci/dihedral.d.ts +10 -0
- package/lib/mol-repr/shape/loci/distance.d.ts +10 -0
- package/lib/mol-repr/shape/loci/label.d.ts +10 -0
- package/lib/mol-repr/shape/loci/orientation.d.ts +10 -0
- package/lib/mol-repr/shape/loci/plane.d.ts +10 -0
- package/lib/mol-repr/shape/model/unitcell.d.ts +10 -0
- package/lib/mol-repr/structure/complex-representation.js +1 -1
- package/lib/mol-repr/structure/complex-visual.d.ts +61 -19
- package/lib/mol-repr/structure/params.d.ts +81 -19
- package/lib/mol-repr/structure/registry.d.ts +141 -19
- package/lib/mol-repr/structure/representation/backbone.d.ts +30 -0
- package/lib/mol-repr/structure/representation/ball-and-stick.d.ts +30 -0
- package/lib/mol-repr/structure/representation/carbohydrate.d.ts +30 -0
- package/lib/mol-repr/structure/representation/cartoon.d.ts +30 -0
- package/lib/mol-repr/structure/representation/ellipsoid.d.ts +30 -0
- package/lib/mol-repr/structure/representation/gaussian-surface.d.ts +30 -0
- package/lib/mol-repr/structure/representation/gaussian-surface.js +1 -1
- package/lib/mol-repr/structure/representation/gaussian-volume.d.ts +34 -58
- package/lib/mol-repr/structure/representation/gaussian-volume.js +2 -7
- package/lib/mol-repr/structure/representation/label.d.ts +30 -0
- package/lib/mol-repr/structure/representation/label.js +1 -1
- package/lib/mol-repr/structure/representation/line.d.ts +30 -0
- package/lib/mol-repr/structure/representation/molecular-surface.d.ts +30 -0
- package/lib/mol-repr/structure/representation/molecular-surface.js +1 -1
- package/lib/mol-repr/structure/representation/orientation.d.ts +30 -0
- package/lib/mol-repr/structure/representation/point.d.ts +30 -0
- package/lib/mol-repr/structure/representation/putty.d.ts +30 -0
- package/lib/mol-repr/structure/representation/spacefill.d.ts +30 -0
- package/lib/mol-repr/structure/units-representation.js +1 -1
- package/lib/mol-repr/structure/units-visual.d.ts +81 -19
- package/lib/mol-repr/structure/visual/bond-inter-unit-cylinder.d.ts +20 -0
- package/lib/mol-repr/structure/visual/bond-inter-unit-line.d.ts +10 -0
- package/lib/mol-repr/structure/visual/bond-intra-unit-cylinder.d.ts +20 -0
- package/lib/mol-repr/structure/visual/bond-intra-unit-line.d.ts +10 -0
- package/lib/mol-repr/structure/visual/carbohydrate-link-cylinder.d.ts +11 -1
- package/lib/mol-repr/structure/visual/carbohydrate-link-cylinder.js +8 -4
- package/lib/mol-repr/structure/visual/carbohydrate-symbol-mesh.d.ts +11 -1
- package/lib/mol-repr/structure/visual/carbohydrate-symbol-mesh.js +10 -6
- package/lib/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.d.ts +11 -1
- package/lib/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.js +8 -4
- 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-tube-mesh.d.ts +10 -0
- 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.d.ts +1 -1
- package/lib/mol-repr/visual.js +13 -8
- 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-state/tree/immutable.d.ts +18 -0
- package/lib/mol-state/tree/transient.d.ts +3 -4
- package/lib/mol-theme/clipping.d.ts +7 -15
- package/lib/mol-theme/clipping.js +5 -12
- package/lib/mol-theme/color/element-symbol.d.ts +243 -1
- package/lib/mol-theme/color/element-symbol.js +10 -5
- package/lib/mol-theme/color/entity-id.d.ts +1 -1
- package/lib/mol-theme/color/entity-id.js +26 -5
- package/lib/mol-theme/color/illustrative.d.ts +100 -29
- package/lib/mol-theme/color/illustrative.js +26 -7
- package/lib/mol-theme/color/molecule-type.d.ts +19 -1
- package/lib/mol-theme/color/molecule-type.js +10 -5
- package/lib/mol-theme/color/residue-name.d.ts +77 -1
- package/lib/mol-theme/color/residue-name.js +10 -5
- package/lib/mol-theme/color/secondary-structure.d.ts +27 -1
- package/lib/mol-theme/color/secondary-structure.js +10 -5
- 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 +233 -14
- 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/color/color.d.ts +1 -1
- package/lib/mol-util/color/color.js +1 -1
- package/lib/mol-util/color/params.d.ts +10 -0
- package/lib/mol-util/color/params.js +15 -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 +36 -35
- package/lib/commonjs/mol-util/float-packing.d.ts +0 -15
- package/lib/mol-util/float-packing.d.ts +0 -15
|
@@ -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>;
|
|
@@ -18,6 +18,7 @@ import { getUnitExtraRadius, getStructureExtraRadius, getVolumeSliceInfo } from
|
|
|
18
18
|
import { applyMeshColorSmoothing } from '../../../mol-geo/geometry/mesh/color-smoothing';
|
|
19
19
|
import { applyTextureMeshColorSmoothing } from '../../../mol-geo/geometry/texture-mesh/color-smoothing';
|
|
20
20
|
import { ColorSmoothingParams, getColorSmoothingProps } from '../../../mol-geo/geometry/base';
|
|
21
|
+
import { Vec3 } from '../../../mol-math/linear-algebra';
|
|
21
22
|
var SharedParams = __assign(__assign(__assign({}, GaussianDensityParams), ColorSmoothingParams), { ignoreHydrogens: PD.Boolean(false), tryUseGpu: PD.Boolean(true), includeParent: PD.Boolean(false, { isHidden: true }) });
|
|
22
23
|
export var GaussianSurfaceMeshParams = __assign(__assign(__assign({}, UnitsMeshParams), UnitsTextureMeshParams), SharedParams);
|
|
23
24
|
export var StructureGaussianSurfaceMeshParams = __assign(__assign(__assign({}, ComplexMeshParams), ComplexTextureMeshParams), SharedParams);
|
|
@@ -55,7 +56,7 @@ function createGaussianSurfaceMesh(ctx, unit, structure, theme, props, mesh) {
|
|
|
55
56
|
switch (_b.label) {
|
|
56
57
|
case 0:
|
|
57
58
|
smoothness = props.smoothness;
|
|
58
|
-
return [4 /*yield*/, computeUnitGaussianDensity(structure, unit, props).runInContext(ctx.runtime)];
|
|
59
|
+
return [4 /*yield*/, computeUnitGaussianDensity(structure, unit, theme.size, props).runInContext(ctx.runtime)];
|
|
59
60
|
case 1:
|
|
60
61
|
_a = _b.sent(), transform = _a.transform, field = _a.field, idField = _a.idField, radiusFactor = _a.radiusFactor, resolution = _a.resolution;
|
|
61
62
|
params = {
|
|
@@ -132,7 +133,7 @@ function createStructureGaussianSurfaceMesh(ctx, structure, theme, props, mesh)
|
|
|
132
133
|
switch (_b.label) {
|
|
133
134
|
case 0:
|
|
134
135
|
smoothness = props.smoothness;
|
|
135
|
-
return [4 /*yield*/, computeStructureGaussianDensity(structure, props).runInContext(ctx.runtime)];
|
|
136
|
+
return [4 /*yield*/, computeStructureGaussianDensity(structure, theme.size, props).runInContext(ctx.runtime)];
|
|
136
137
|
case 1:
|
|
137
138
|
_a = _b.sent(), transform = _a.transform, field = _a.field, idField = _a.idField, radiusFactor = _a.radiusFactor, resolution = _a.resolution;
|
|
138
139
|
params = {
|
|
@@ -203,7 +204,7 @@ export function StructureGaussianSurfaceMeshVisual(materialId) {
|
|
|
203
204
|
var GaussianSurfaceName = 'gaussian-surface';
|
|
204
205
|
function createGaussianSurfaceTextureMesh(ctx, unit, structure, theme, props, textureMesh) {
|
|
205
206
|
return __awaiter(this, void 0, void 0, function () {
|
|
206
|
-
var _a, namedTextures, resources, _b, colorBufferFloat, textureFloat, colorBufferHalfFloat, textureHalfFloat, densityTextureData, isoLevel, buffer, gv, boundingSphere, surface;
|
|
207
|
+
var _a, namedTextures, resources, _b, colorBufferFloat, textureFloat, colorBufferHalfFloat, textureHalfFloat, densityTextureData, isoLevel, axisOrder, buffer, gv, boundingSphere, surface;
|
|
207
208
|
return __generator(this, function (_c) {
|
|
208
209
|
switch (_c.label) {
|
|
209
210
|
case 0:
|
|
@@ -217,12 +218,13 @@ function createGaussianSurfaceTextureMesh(ctx, unit, structure, theme, props, te
|
|
|
217
218
|
? resources.texture('image-float32', 'rgba', 'float', 'linear')
|
|
218
219
|
: resources.texture('image-uint8', 'rgba', 'ubyte', 'linear');
|
|
219
220
|
}
|
|
220
|
-
return [4 /*yield*/, computeUnitGaussianDensityTexture2d(structure, unit, true, props, ctx.webgl, namedTextures[GaussianSurfaceName]).runInContext(ctx.runtime)];
|
|
221
|
+
return [4 /*yield*/, computeUnitGaussianDensityTexture2d(structure, unit, theme.size, true, props, ctx.webgl, namedTextures[GaussianSurfaceName]).runInContext(ctx.runtime)];
|
|
221
222
|
case 1:
|
|
222
223
|
densityTextureData = _c.sent();
|
|
223
224
|
isoLevel = Math.exp(-props.smoothness) / densityTextureData.radiusFactor;
|
|
225
|
+
axisOrder = Vec3.create(0, 1, 2);
|
|
224
226
|
buffer = textureMesh === null || textureMesh === void 0 ? void 0 : textureMesh.doubleBuffer.get();
|
|
225
|
-
gv = extractIsosurface(ctx.webgl, densityTextureData.texture, densityTextureData.gridDim, densityTextureData.gridTexDim, densityTextureData.gridTexScale, densityTextureData.transform, isoLevel, false, true, buffer === null || buffer === void 0 ? void 0 : buffer.vertex, buffer === null || buffer === void 0 ? void 0 : buffer.group, buffer === null || buffer === void 0 ? void 0 : buffer.normal);
|
|
227
|
+
gv = extractIsosurface(ctx.webgl, densityTextureData.texture, densityTextureData.gridDim, densityTextureData.gridTexDim, densityTextureData.gridTexScale, densityTextureData.transform, isoLevel, false, true, axisOrder, buffer === null || buffer === void 0 ? void 0 : buffer.vertex, buffer === null || buffer === void 0 ? void 0 : buffer.group, buffer === null || buffer === void 0 ? void 0 : buffer.normal);
|
|
226
228
|
boundingSphere = Sphere3D.expand(Sphere3D(), unit.boundary.sphere, props.radiusOffset + getStructureExtraRadius(structure));
|
|
227
229
|
surface = TextureMesh.create(gv.vertexCount, 1, gv.vertexTexture, gv.groupTexture, gv.normalTexture, boundingSphere, textureMesh);
|
|
228
230
|
surface.meta.resolution = densityTextureData.resolution;
|
|
@@ -285,7 +287,7 @@ export function GaussianSurfaceTextureMeshVisual(materialId) {
|
|
|
285
287
|
//
|
|
286
288
|
function createStructureGaussianSurfaceTextureMesh(ctx, structure, theme, props, textureMesh) {
|
|
287
289
|
return __awaiter(this, void 0, void 0, function () {
|
|
288
|
-
var _a, namedTextures, resources, _b, colorBufferFloat, textureFloat, colorBufferHalfFloat, textureHalfFloat, densityTextureData, isoLevel, buffer, gv, boundingSphere, surface;
|
|
290
|
+
var _a, namedTextures, resources, _b, colorBufferFloat, textureFloat, colorBufferHalfFloat, textureHalfFloat, densityTextureData, isoLevel, axisOrder, buffer, gv, boundingSphere, surface;
|
|
289
291
|
return __generator(this, function (_c) {
|
|
290
292
|
switch (_c.label) {
|
|
291
293
|
case 0:
|
|
@@ -299,12 +301,13 @@ function createStructureGaussianSurfaceTextureMesh(ctx, structure, theme, props,
|
|
|
299
301
|
? resources.texture('image-float32', 'rgba', 'float', 'linear')
|
|
300
302
|
: resources.texture('image-uint8', 'rgba', 'ubyte', 'linear');
|
|
301
303
|
}
|
|
302
|
-
return [4 /*yield*/, computeStructureGaussianDensityTexture2d(structure, true, props, ctx.webgl, namedTextures[GaussianSurfaceName]).runInContext(ctx.runtime)];
|
|
304
|
+
return [4 /*yield*/, computeStructureGaussianDensityTexture2d(structure, theme.size, true, props, ctx.webgl, namedTextures[GaussianSurfaceName]).runInContext(ctx.runtime)];
|
|
303
305
|
case 1:
|
|
304
306
|
densityTextureData = _c.sent();
|
|
305
307
|
isoLevel = Math.exp(-props.smoothness) / densityTextureData.radiusFactor;
|
|
308
|
+
axisOrder = Vec3.create(0, 1, 2);
|
|
306
309
|
buffer = textureMesh === null || textureMesh === void 0 ? void 0 : textureMesh.doubleBuffer.get();
|
|
307
|
-
gv = extractIsosurface(ctx.webgl, densityTextureData.texture, densityTextureData.gridDim, densityTextureData.gridTexDim, densityTextureData.gridTexScale, densityTextureData.transform, isoLevel, false, true, buffer === null || buffer === void 0 ? void 0 : buffer.vertex, buffer === null || buffer === void 0 ? void 0 : buffer.group, buffer === null || buffer === void 0 ? void 0 : buffer.normal);
|
|
310
|
+
gv = extractIsosurface(ctx.webgl, densityTextureData.texture, densityTextureData.gridDim, densityTextureData.gridTexDim, densityTextureData.gridTexScale, densityTextureData.transform, isoLevel, false, true, axisOrder, buffer === null || buffer === void 0 ? void 0 : buffer.vertex, buffer === null || buffer === void 0 ? void 0 : buffer.group, buffer === null || buffer === void 0 ? void 0 : buffer.normal);
|
|
308
311
|
boundingSphere = Sphere3D.expand(Sphere3D(), structure.boundary.sphere, props.radiusOffset + getStructureExtraRadius(structure));
|
|
309
312
|
surface = TextureMesh.create(gv.vertexCount, 1, gv.vertexTexture, gv.groupTexture, gv.normalTexture, boundingSphere, textureMesh);
|
|
310
313
|
surface.meta.resolution = densityTextureData.resolution;
|
|
@@ -22,6 +22,16 @@ export declare const GaussianWireframeParams: {
|
|
|
22
22
|
roughness: number;
|
|
23
23
|
bumpiness: number;
|
|
24
24
|
}>>;
|
|
25
|
+
clip: PD.Group<PD.Normalize<{
|
|
26
|
+
variant: import("../../../mol-util/clip").Clip.Variant;
|
|
27
|
+
objects: PD.Normalize<{
|
|
28
|
+
type: any;
|
|
29
|
+
invert: any;
|
|
30
|
+
position: any;
|
|
31
|
+
rotation: any;
|
|
32
|
+
scale: any;
|
|
33
|
+
}>[];
|
|
34
|
+
}>>;
|
|
25
35
|
};
|
|
26
36
|
export declare type GaussianWireframeParams = typeof GaussianWireframeParams;
|
|
27
37
|
export declare function GaussianWireframeVisual(materialId: number): UnitsVisual<GaussianWireframeParams>;
|
|
@@ -19,7 +19,7 @@ function createGaussianWireframe(ctx, unit, structure, theme, props, lines) {
|
|
|
19
19
|
switch (_b.label) {
|
|
20
20
|
case 0:
|
|
21
21
|
smoothness = props.smoothness;
|
|
22
|
-
return [4 /*yield*/, computeUnitGaussianDensity(structure, unit, props).runInContext(ctx.runtime)];
|
|
22
|
+
return [4 /*yield*/, computeUnitGaussianDensity(structure, unit, theme.size, props).runInContext(ctx.runtime)];
|
|
23
23
|
case 1:
|
|
24
24
|
_a = _b.sent(), transform = _a.transform, field = _a.field, idField = _a.idField;
|
|
25
25
|
params = {
|
|
@@ -39,6 +39,16 @@ export declare const LabelTextParams: {
|
|
|
39
39
|
roughness: number;
|
|
40
40
|
bumpiness: number;
|
|
41
41
|
}>>;
|
|
42
|
+
clip: PD.Group<PD.Normalize<{
|
|
43
|
+
variant: import("../../../mol-util/clip").Clip.Variant;
|
|
44
|
+
objects: PD.Normalize<{
|
|
45
|
+
type: any;
|
|
46
|
+
invert: any;
|
|
47
|
+
position: any;
|
|
48
|
+
rotation: any;
|
|
49
|
+
scale: any;
|
|
50
|
+
}>[];
|
|
51
|
+
}>>;
|
|
42
52
|
};
|
|
43
53
|
export declare type LabelTextParams = typeof LabelTextParams;
|
|
44
54
|
export declare type LabelTextProps = PD.Values<LabelTextParams>;
|
|
@@ -12,7 +12,6 @@ import { ComplexTextVisual, ComplexTextParams } from '../complex-visual';
|
|
|
12
12
|
import { ElementIterator, getSerialElementLoci, eachSerialElement } from './util/element';
|
|
13
13
|
import { ColorNames } from '../../../mol-util/color/names';
|
|
14
14
|
import { Vec3 } from '../../../mol-math/linear-algebra';
|
|
15
|
-
import { PhysicalSizeTheme } from '../../../mol-theme/size/physical';
|
|
16
15
|
import { BoundaryHelper } from '../../../mol-math/geometry/boundary-helper';
|
|
17
16
|
export var LabelTextParams = __assign(__assign({}, ComplexTextParams), { background: PD.Boolean(false), backgroundMargin: PD.Numeric(0, { min: 0, max: 1, step: 0.01 }), backgroundColor: PD.Color(ColorNames.black), backgroundOpacity: PD.Numeric(0.5, { min: 0, max: 1, step: 0.01 }), borderWidth: PD.Numeric(0.25, { min: 0, max: 0.5, step: 0.01 }), level: PD.Select('residue', [['chain', 'Chain'], ['residue', 'Residue'], ['element', 'Element']], { isEssential: true }), chainScale: PD.Numeric(10, { min: 0, max: 20, step: 0.1 }), residueScale: PD.Numeric(1, { min: 0, max: 20, step: 0.1 }), elementScale: PD.Numeric(0.5, { min: 0, max: 20, step: 0.1 }) });
|
|
18
17
|
export function LabelTextVisual(materialId) {
|
|
@@ -110,7 +109,7 @@ function createElementText(ctx, structure, theme, props, text) {
|
|
|
110
109
|
var units = structure.units, serialMapping = structure.serialMapping;
|
|
111
110
|
var _a = StructureProperties.atom, label_atom_id = _a.label_atom_id, label_alt_id = _a.label_alt_id;
|
|
112
111
|
var cumulativeUnitElementCount = serialMapping.cumulativeUnitElementCount;
|
|
113
|
-
var sizeTheme =
|
|
112
|
+
var sizeTheme = theme.size;
|
|
114
113
|
var count = structure.elementCount;
|
|
115
114
|
var elementScale = props.elementScale;
|
|
116
115
|
var builder = TextBuilder.create(props, count, count / 2, text);
|
|
@@ -31,6 +31,16 @@ export declare const MolecularSurfaceMeshParams: {
|
|
|
31
31
|
roughness: number;
|
|
32
32
|
bumpiness: number;
|
|
33
33
|
}>>;
|
|
34
|
+
clip: PD.Group<PD.Normalize<{
|
|
35
|
+
variant: import("../../../mol-util/clip").Clip.Variant;
|
|
36
|
+
objects: PD.Normalize<{
|
|
37
|
+
type: any;
|
|
38
|
+
invert: any;
|
|
39
|
+
position: any;
|
|
40
|
+
rotation: any;
|
|
41
|
+
scale: any;
|
|
42
|
+
}>[];
|
|
43
|
+
}>>;
|
|
34
44
|
};
|
|
35
45
|
export declare type MolecularSurfaceMeshParams = typeof MolecularSurfaceMeshParams;
|
|
36
46
|
export declare type MolecularSurfaceMeshProps = PD.Values<MolecularSurfaceMeshParams>;
|
|
@@ -22,7 +22,7 @@ function createMolecularSurfaceMesh(ctx, unit, structure, theme, props, mesh) {
|
|
|
22
22
|
var _a, transform, field, idField, resolution, params, surface, iterations, sphere;
|
|
23
23
|
return __generator(this, function (_b) {
|
|
24
24
|
switch (_b.label) {
|
|
25
|
-
case 0: return [4 /*yield*/, computeUnitMolecularSurface(structure, unit, props).runInContext(ctx.runtime)];
|
|
25
|
+
case 0: return [4 /*yield*/, computeUnitMolecularSurface(structure, unit, theme.size, props).runInContext(ctx.runtime)];
|
|
26
26
|
case 1:
|
|
27
27
|
_a = _b.sent(), transform = _a.transform, field = _a.field, idField = _a.idField, resolution = _a.resolution;
|
|
28
28
|
params = {
|
|
@@ -22,6 +22,16 @@ export declare const MolecularSurfaceWireframeParams: {
|
|
|
22
22
|
roughness: number;
|
|
23
23
|
bumpiness: number;
|
|
24
24
|
}>>;
|
|
25
|
+
clip: PD.Group<PD.Normalize<{
|
|
26
|
+
variant: import("../../../mol-util/clip").Clip.Variant;
|
|
27
|
+
objects: PD.Normalize<{
|
|
28
|
+
type: any;
|
|
29
|
+
invert: any;
|
|
30
|
+
position: any;
|
|
31
|
+
rotation: any;
|
|
32
|
+
scale: any;
|
|
33
|
+
}>[];
|
|
34
|
+
}>>;
|
|
25
35
|
};
|
|
26
36
|
export declare type MolecularSurfaceWireframeParams = typeof MolecularSurfaceWireframeParams;
|
|
27
37
|
export declare function MolecularSurfaceWireframeVisual(materialId: number): UnitsVisual<MolecularSurfaceWireframeParams>;
|
|
@@ -20,7 +20,7 @@ function createMolecularSurfaceWireframe(ctx, unit, structure, theme, props, lin
|
|
|
20
20
|
var _a, transform, field, idField, params, wireframe, sphere;
|
|
21
21
|
return __generator(this, function (_b) {
|
|
22
22
|
switch (_b.label) {
|
|
23
|
-
case 0: return [4 /*yield*/, computeUnitMolecularSurface(structure, unit, props).runInContext(ctx.runtime)];
|
|
23
|
+
case 0: return [4 /*yield*/, computeUnitMolecularSurface(structure, unit, theme.size, props).runInContext(ctx.runtime)];
|
|
24
24
|
case 1:
|
|
25
25
|
_a = _b.sent(), transform = _a.transform, field = _a.field, idField = _a.idField;
|
|
26
26
|
params = {
|
|
@@ -33,6 +33,16 @@ export declare const NucleotideBlockParams: {
|
|
|
33
33
|
roughness: number;
|
|
34
34
|
bumpiness: number;
|
|
35
35
|
}>>;
|
|
36
|
+
clip: PD.Group<PD.Normalize<{
|
|
37
|
+
variant: import("../../../mol-util/clip").Clip.Variant;
|
|
38
|
+
objects: PD.Normalize<{
|
|
39
|
+
type: any;
|
|
40
|
+
invert: any;
|
|
41
|
+
position: any;
|
|
42
|
+
rotation: any;
|
|
43
|
+
scale: any;
|
|
44
|
+
}>[];
|
|
45
|
+
}>>;
|
|
36
46
|
};
|
|
37
47
|
export declare type NucleotideBlockParams = typeof NucleotideBlockParams;
|
|
38
48
|
export declare function NucleotideBlockVisual(materialId: number): UnitsVisual<NucleotideBlockParams>;
|
|
@@ -36,6 +36,16 @@ export declare const NucleotideRingParams: {
|
|
|
36
36
|
roughness: number;
|
|
37
37
|
bumpiness: number;
|
|
38
38
|
}>>;
|
|
39
|
+
clip: PD.Group<PD.Normalize<{
|
|
40
|
+
variant: import("../../../mol-util/clip").Clip.Variant;
|
|
41
|
+
objects: PD.Normalize<{
|
|
42
|
+
type: any;
|
|
43
|
+
invert: any;
|
|
44
|
+
position: any;
|
|
45
|
+
rotation: any;
|
|
46
|
+
scale: any;
|
|
47
|
+
}>[];
|
|
48
|
+
}>>;
|
|
39
49
|
};
|
|
40
50
|
export declare type NucleotideRingParams = typeof NucleotideRingParams;
|
|
41
51
|
export declare function NucleotideRingVisual(materialId: number): UnitsVisual<NucleotideRingParams>;
|
|
@@ -28,6 +28,16 @@ export declare const OrientationEllipsoidMeshParams: {
|
|
|
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
|
};
|
|
32
42
|
export declare type OrientationEllipsoidMeshParams = typeof OrientationEllipsoidMeshParams;
|
|
33
43
|
export declare function OrientationEllipsoidMeshVisual(materialId: number): UnitsVisual<OrientationEllipsoidMeshParams>;
|
|
@@ -26,6 +26,16 @@ export declare const PolymerBackboneCylinderParams: {
|
|
|
26
26
|
roughness: number;
|
|
27
27
|
bumpiness: number;
|
|
28
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
|
+
}>>;
|
|
29
39
|
flipSided: PD.BooleanParam;
|
|
30
40
|
flatShaded: PD.BooleanParam;
|
|
31
41
|
};
|
|
@@ -49,6 +59,16 @@ export declare function PolymerBackboneCylinderVisual(materialId: number, struct
|
|
|
49
59
|
roughness: number;
|
|
50
60
|
bumpiness: number;
|
|
51
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
|
+
}>>;
|
|
52
72
|
flipSided: PD.BooleanParam;
|
|
53
73
|
flatShaded: PD.BooleanParam;
|
|
54
74
|
}>;
|
|
@@ -25,6 +25,16 @@ export declare const PolymerBackboneSphereParams: {
|
|
|
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
|
flipSided: PD.BooleanParam;
|
|
29
39
|
flatShaded: PD.BooleanParam;
|
|
30
40
|
};
|
|
@@ -47,6 +57,16 @@ export declare function PolymerBackboneSphereVisual(materialId: number, structur
|
|
|
47
57
|
roughness: number;
|
|
48
58
|
bumpiness: number;
|
|
49
59
|
}>>;
|
|
60
|
+
clip: PD.Group<PD.Normalize<{
|
|
61
|
+
variant: import("../../../mol-util/clip").Clip.Variant;
|
|
62
|
+
objects: PD.Normalize<{
|
|
63
|
+
type: any;
|
|
64
|
+
invert: any;
|
|
65
|
+
position: any;
|
|
66
|
+
rotation: any;
|
|
67
|
+
scale: any;
|
|
68
|
+
}>[];
|
|
69
|
+
}>>;
|
|
50
70
|
flipSided: PD.BooleanParam;
|
|
51
71
|
flatShaded: PD.BooleanParam;
|
|
52
72
|
}>;
|
|
@@ -30,6 +30,16 @@ export declare const PolymerDirectionParams: {
|
|
|
30
30
|
roughness: number;
|
|
31
31
|
bumpiness: number;
|
|
32
32
|
}>>;
|
|
33
|
+
clip: PD.Group<PD.Normalize<{
|
|
34
|
+
variant: import("../../../mol-util/clip").Clip.Variant;
|
|
35
|
+
objects: PD.Normalize<{
|
|
36
|
+
type: any;
|
|
37
|
+
invert: any;
|
|
38
|
+
position: any;
|
|
39
|
+
rotation: any;
|
|
40
|
+
scale: any;
|
|
41
|
+
}>[];
|
|
42
|
+
}>>;
|
|
33
43
|
};
|
|
34
44
|
export declare type PolymerDirectionParams = typeof PolymerDirectionParams;
|
|
35
45
|
export declare function PolymerDirectionVisual(materialId: number): UnitsVisual<PolymerDirectionParams>;
|
|
@@ -33,6 +33,16 @@ export declare const PolymerGapParams: {
|
|
|
33
33
|
roughness: number;
|
|
34
34
|
bumpiness: number;
|
|
35
35
|
}>>;
|
|
36
|
+
clip: PD.Group<PD.Normalize<{
|
|
37
|
+
variant: import("../../../mol-util/clip").Clip.Variant;
|
|
38
|
+
objects: PD.Normalize<{
|
|
39
|
+
type: any;
|
|
40
|
+
invert: any;
|
|
41
|
+
position: any;
|
|
42
|
+
rotation: any;
|
|
43
|
+
scale: any;
|
|
44
|
+
}>[];
|
|
45
|
+
}>>;
|
|
36
46
|
};
|
|
37
47
|
export declare type PolymerGapParams = typeof PolymerGapParams;
|
|
38
48
|
export declare function PolymerGapVisual(materialId: number): UnitsVisual<PolymerGapParams>;
|
|
@@ -51,6 +51,16 @@ export declare const PolymerTraceParams: {
|
|
|
51
51
|
roughness: number;
|
|
52
52
|
bumpiness: number;
|
|
53
53
|
}>>;
|
|
54
|
+
clip: PD.Group<PD.Normalize<{
|
|
55
|
+
variant: import("../../../mol-util/clip").Clip.Variant;
|
|
56
|
+
objects: PD.Normalize<{
|
|
57
|
+
type: any;
|
|
58
|
+
invert: any;
|
|
59
|
+
position: any;
|
|
60
|
+
rotation: any;
|
|
61
|
+
scale: any;
|
|
62
|
+
}>[];
|
|
63
|
+
}>>;
|
|
54
64
|
};
|
|
55
65
|
export declare type PolymerTraceParams = typeof PolymerTraceParams;
|
|
56
66
|
export declare function PolymerTraceVisual(materialId: number): UnitsVisual<PolymerTraceParams>;
|
|
@@ -39,6 +39,16 @@ export declare const PolymerTubeParams: {
|
|
|
39
39
|
roughness: number;
|
|
40
40
|
bumpiness: number;
|
|
41
41
|
}>>;
|
|
42
|
+
clip: PD.Group<PD.Normalize<{
|
|
43
|
+
variant: import("../../../mol-util/clip").Clip.Variant;
|
|
44
|
+
objects: PD.Normalize<{
|
|
45
|
+
type: any;
|
|
46
|
+
invert: any;
|
|
47
|
+
position: any;
|
|
48
|
+
rotation: any;
|
|
49
|
+
scale: any;
|
|
50
|
+
}>[];
|
|
51
|
+
}>>;
|
|
42
52
|
};
|
|
43
53
|
export declare type PolymerTubeParams = typeof PolymerTubeParams;
|
|
44
54
|
export declare function PolymerTubeVisual(materialId: number): UnitsVisual<PolymerTubeParams>;
|
|
@@ -10,6 +10,7 @@ import { Loci } from '../../../../mol-model/loci';
|
|
|
10
10
|
import { ParamDefinition as PD } from '../../../../mol-util/param-definition';
|
|
11
11
|
import { AssignableArrayLike } from '../../../../mol-util/type-helpers';
|
|
12
12
|
import { Box3D } from '../../../../mol-math/geometry';
|
|
13
|
+
import { SizeTheme } from '../../../../mol-theme/size';
|
|
13
14
|
/** Return a Loci for the elements of a whole residue the elementIndex belongs to. */
|
|
14
15
|
export declare function getResidueLoci(structure: Structure, unit: Unit.Atomic, elementIndex: ElementIndex): Loci;
|
|
15
16
|
/**
|
|
@@ -60,7 +61,7 @@ export declare const DefaultCommonSurfaceProps: PD.Values<{
|
|
|
60
61
|
includeParent: PD.BooleanParam;
|
|
61
62
|
}>;
|
|
62
63
|
export declare type CommonSurfaceProps = typeof DefaultCommonSurfaceProps;
|
|
63
|
-
export declare function getUnitConformationAndRadius(structure: Structure, unit: Unit, props: CommonSurfaceProps): {
|
|
64
|
+
export declare function getUnitConformationAndRadius(structure: Structure, unit: Unit, sizeTheme: SizeTheme<any>, props: CommonSurfaceProps): {
|
|
64
65
|
position: {
|
|
65
66
|
indices: SortedArray<ElementIndex>;
|
|
66
67
|
x: ArrayLike<number>;
|
|
@@ -71,7 +72,7 @@ export declare function getUnitConformationAndRadius(structure: Structure, unit:
|
|
|
71
72
|
boundary: import("../../../../mol-math/geometry/boundary").Boundary;
|
|
72
73
|
radius: (index: number) => number;
|
|
73
74
|
};
|
|
74
|
-
export declare function getStructureConformationAndRadius(structure: Structure, ignoreHydrogens: boolean, traceOnly: boolean): {
|
|
75
|
+
export declare function getStructureConformationAndRadius(structure: Structure, sizeTheme: SizeTheme<any>, ignoreHydrogens: boolean, traceOnly: boolean): {
|
|
75
76
|
position: {
|
|
76
77
|
indices: OrderedSet<number>;
|
|
77
78
|
x: ArrayLike<number>;
|
|
@@ -9,7 +9,6 @@ import { Mat4, Vec3 } from '../../../../mol-math/linear-algebra';
|
|
|
9
9
|
import { createTransform } from '../../../../mol-geo/geometry/transform-data';
|
|
10
10
|
import { OrderedSet, SortedArray } from '../../../../mol-data/int';
|
|
11
11
|
import { EmptyLoci } from '../../../../mol-model/loci';
|
|
12
|
-
import { PhysicalSizeTheme } from '../../../../mol-theme/size/physical';
|
|
13
12
|
import { AtomicNumbers } from '../../../../mol-model/structure/model/properties/atomic';
|
|
14
13
|
import { fillSerial } from '../../../../mol-util/array';
|
|
15
14
|
import { ParamDefinition as PD } from '../../../../mol-util/param-definition';
|
|
@@ -149,7 +148,7 @@ function filterId(id, elements, indices) {
|
|
|
149
148
|
}
|
|
150
149
|
}
|
|
151
150
|
}
|
|
152
|
-
export function getUnitConformationAndRadius(structure, unit, props) {
|
|
151
|
+
export function getUnitConformationAndRadius(structure, unit, sizeTheme, props) {
|
|
153
152
|
var ignoreHydrogens = props.ignoreHydrogens, traceOnly = props.traceOnly, includeParent = props.includeParent;
|
|
154
153
|
var rootUnit = includeParent ? structure.root.unitMap.get(unit.id) : unit;
|
|
155
154
|
var _a = getConformation(rootUnit), x = _a.x, y = _a.y, z = _a.z;
|
|
@@ -186,16 +185,14 @@ export function getUnitConformationAndRadius(structure, unit, props) {
|
|
|
186
185
|
var position = { indices: indices, x: x, y: y, z: z, id: id };
|
|
187
186
|
var boundary = unit === rootUnit ? unit.boundary : getBoundary(position);
|
|
188
187
|
var l = StructureElement.Location.create(structure, rootUnit);
|
|
189
|
-
var sizeTheme = PhysicalSizeTheme({}, { scale: 1 });
|
|
190
188
|
var radius = function (index) {
|
|
191
189
|
l.element = index;
|
|
192
190
|
return sizeTheme.size(l);
|
|
193
191
|
};
|
|
194
192
|
return { position: position, boundary: boundary, radius: radius };
|
|
195
193
|
}
|
|
196
|
-
export function getStructureConformationAndRadius(structure, ignoreHydrogens, traceOnly) {
|
|
194
|
+
export function getStructureConformationAndRadius(structure, sizeTheme, ignoreHydrogens, traceOnly) {
|
|
197
195
|
var l = StructureElement.Location.create(structure);
|
|
198
|
-
var sizeTheme = PhysicalSizeTheme({}, { scale: 1 });
|
|
199
196
|
var xs;
|
|
200
197
|
var ys;
|
|
201
198
|
var zs;
|
|
@@ -8,6 +8,7 @@ import { Task } from '../../../../mol-task';
|
|
|
8
8
|
import { ParamDefinition as PD } from '../../../../mol-util/param-definition';
|
|
9
9
|
import { Texture } from '../../../../mol-gl/webgl/texture';
|
|
10
10
|
import { WebGLContext } from '../../../../mol-gl/webgl/context';
|
|
11
|
+
import { SizeTheme } from '../../../../mol-theme/size';
|
|
11
12
|
export declare const GaussianDensityParams: {
|
|
12
13
|
ignoreHydrogens: PD.BooleanParam;
|
|
13
14
|
traceOnly: PD.BooleanParam;
|
|
@@ -26,9 +27,9 @@ export declare const DefaultGaussianDensityProps: PD.Values<{
|
|
|
26
27
|
}>;
|
|
27
28
|
export declare type GaussianDensityProps = typeof DefaultGaussianDensityProps;
|
|
28
29
|
export declare function getTextureMaxCells(webgl: WebGLContext, structure?: Structure): number;
|
|
29
|
-
export declare function computeUnitGaussianDensity(structure: Structure, unit: Unit, props: GaussianDensityProps): Task<import("../../../../mol-math/geometry/gaussian-density").GaussianDensityData>;
|
|
30
|
-
export declare function computeUnitGaussianDensityTexture(structure: Structure, unit: Unit, props: GaussianDensityProps, webgl: WebGLContext, texture?: Texture): Task<import("../../../../mol-math/geometry/gaussian-density").GaussianDensityTextureData>;
|
|
31
|
-
export declare function computeUnitGaussianDensityTexture2d(structure: Structure, unit: Unit, powerOfTwo: boolean, props: GaussianDensityProps, webgl: WebGLContext, texture?: Texture): Task<import("../../../../mol-math/geometry/gaussian-density").GaussianDensityTextureData>;
|
|
32
|
-
export declare function computeStructureGaussianDensity(structure: Structure, props: GaussianDensityProps): Task<import("../../../../mol-math/geometry/gaussian-density").GaussianDensityData>;
|
|
33
|
-
export declare function computeStructureGaussianDensityTexture(structure: Structure, props: GaussianDensityProps, webgl: WebGLContext, texture?: Texture): Task<import("../../../../mol-math/geometry/gaussian-density").GaussianDensityTextureData>;
|
|
34
|
-
export declare function computeStructureGaussianDensityTexture2d(structure: Structure, powerOfTwo: boolean, props: GaussianDensityProps, webgl: WebGLContext, texture?: Texture): Task<import("../../../../mol-math/geometry/gaussian-density").GaussianDensityTextureData>;
|
|
30
|
+
export declare function computeUnitGaussianDensity(structure: Structure, unit: Unit, sizeTheme: SizeTheme<any>, props: GaussianDensityProps): Task<import("../../../../mol-math/geometry/gaussian-density").GaussianDensityData>;
|
|
31
|
+
export declare function computeUnitGaussianDensityTexture(structure: Structure, unit: Unit, sizeTheme: SizeTheme<any>, props: GaussianDensityProps, webgl: WebGLContext, texture?: Texture): Task<import("../../../../mol-math/geometry/gaussian-density").GaussianDensityTextureData>;
|
|
32
|
+
export declare function computeUnitGaussianDensityTexture2d(structure: Structure, unit: Unit, sizeTheme: SizeTheme<any>, powerOfTwo: boolean, props: GaussianDensityProps, webgl: WebGLContext, texture?: Texture): Task<import("../../../../mol-math/geometry/gaussian-density").GaussianDensityTextureData>;
|
|
33
|
+
export declare function computeStructureGaussianDensity(structure: Structure, sizeTheme: SizeTheme<any>, props: GaussianDensityProps): Task<import("../../../../mol-math/geometry/gaussian-density").GaussianDensityData>;
|
|
34
|
+
export declare function computeStructureGaussianDensityTexture(structure: Structure, sizeTheme: SizeTheme<any>, props: GaussianDensityProps, webgl: WebGLContext, texture?: Texture): Task<import("../../../../mol-math/geometry/gaussian-density").GaussianDensityTextureData>;
|
|
35
|
+
export declare function computeStructureGaussianDensityTexture2d(structure: Structure, sizeTheme: SizeTheme<any>, powerOfTwo: boolean, props: GaussianDensityProps, webgl: WebGLContext, texture?: Texture): Task<import("../../../../mol-math/geometry/gaussian-density").GaussianDensityTextureData>;
|