molstar 4.0.1 → 4.2.0
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/LICENSE +20 -20
- package/README.md +197 -197
- package/build/viewer/embedded.html +52 -52
- package/build/viewer/index.html +129 -129
- package/build/viewer/molstar.js +1 -1
- package/build/viewer/molstar.js.LICENSE.txt +0 -9
- package/lib/apps/docking-viewer/index.html +36 -36
- package/lib/apps/docking-viewer/viewport.d.ts +8 -8
- package/lib/apps/mesoscale-explorer/behavior/camera.d.ts +1 -1
- package/lib/apps/mesoscale-explorer/behavior/select.d.ts +1 -1
- package/lib/apps/mesoscale-explorer/data/cellpack/model.d.ts +2 -2
- package/lib/apps/mesoscale-explorer/data/cellpack/preset.d.ts +1 -1
- package/lib/apps/mesoscale-explorer/data/cellpack/preset.js +5 -5
- package/lib/apps/mesoscale-explorer/data/generic/preset.d.ts +1 -1
- package/lib/apps/mesoscale-explorer/data/generic/preset.js +3 -3
- package/lib/apps/mesoscale-explorer/data/mmcif/preset.d.ts +1 -1
- package/lib/apps/mesoscale-explorer/data/mmcif/preset.js +3 -3
- package/lib/apps/mesoscale-explorer/data/petworld/preset.d.ts +1 -1
- package/lib/apps/mesoscale-explorer/data/petworld/preset.js +3 -3
- package/lib/apps/mesoscale-explorer/data/state.d.ts +19 -10
- package/lib/apps/mesoscale-explorer/data/state.js +14 -2
- package/lib/apps/mesoscale-explorer/index.html +100 -100
- package/lib/apps/mesoscale-explorer/style.scss +33 -33
- package/lib/apps/mesoscale-explorer/ui/entities.d.ts +19 -13
- package/lib/apps/mesoscale-explorer/ui/entities.js +23 -4
- package/lib/apps/viewer/app.d.ts +30 -24
- package/lib/apps/viewer/app.js +6 -6
- package/lib/apps/viewer/embedded.html +52 -52
- package/lib/apps/viewer/index.html +129 -129
- package/lib/cli/chem-comp-dict/create-ions.js +9 -9
- package/lib/cli/chem-comp-dict/create-saccharides.js +9 -9
- package/lib/cli/chem-comp-dict/util.d.ts +112 -112
- package/lib/cli/cifschema/util/cif-dic.js +1 -0
- package/lib/cli/cifschema/util/generate.js +12 -12
- package/lib/cli/lipid-params/index.js +9 -9
- package/lib/cli/mvs/mvs-print-schema.d.ts +1 -0
- package/lib/cli/mvs/mvs-print-schema.js +1 -0
- package/lib/cli/mvs/mvs-render.d.ts +1 -0
- package/lib/cli/mvs/mvs-render.js +1 -0
- package/lib/cli/mvs/mvs-validate.d.ts +1 -0
- package/lib/cli/mvs/mvs-validate.js +1 -0
- package/lib/commonjs/apps/docking-viewer/viewport.d.ts +8 -8
- package/lib/commonjs/apps/mesoscale-explorer/behavior/camera.d.ts +1 -1
- package/lib/commonjs/apps/mesoscale-explorer/behavior/select.d.ts +1 -1
- package/lib/commonjs/apps/mesoscale-explorer/data/cellpack/model.d.ts +2 -2
- package/lib/commonjs/apps/mesoscale-explorer/data/cellpack/preset.d.ts +1 -1
- package/lib/commonjs/apps/mesoscale-explorer/data/cellpack/preset.js +5 -5
- package/lib/commonjs/apps/mesoscale-explorer/data/generic/preset.d.ts +1 -1
- package/lib/commonjs/apps/mesoscale-explorer/data/generic/preset.js +3 -3
- package/lib/commonjs/apps/mesoscale-explorer/data/mmcif/preset.d.ts +1 -1
- package/lib/commonjs/apps/mesoscale-explorer/data/mmcif/preset.js +3 -3
- package/lib/commonjs/apps/mesoscale-explorer/data/petworld/preset.d.ts +1 -1
- package/lib/commonjs/apps/mesoscale-explorer/data/petworld/preset.js +3 -3
- package/lib/commonjs/apps/mesoscale-explorer/data/state.d.ts +19 -10
- package/lib/commonjs/apps/mesoscale-explorer/data/state.js +15 -3
- package/lib/commonjs/apps/mesoscale-explorer/ui/entities.d.ts +19 -13
- package/lib/commonjs/apps/mesoscale-explorer/ui/entities.js +22 -3
- package/lib/commonjs/apps/viewer/app.d.ts +30 -24
- package/lib/commonjs/apps/viewer/app.js +6 -6
- package/lib/commonjs/cli/chem-comp-dict/create-ions.js +9 -9
- package/lib/commonjs/cli/chem-comp-dict/create-saccharides.js +9 -9
- package/lib/commonjs/cli/chem-comp-dict/util.d.ts +112 -112
- package/lib/commonjs/cli/cifschema/util/cif-dic.js +1 -0
- package/lib/commonjs/cli/cifschema/util/generate.js +12 -12
- package/lib/commonjs/cli/lipid-params/index.js +9 -9
- package/lib/commonjs/cli/mvs/mvs-print-schema.d.ts +1 -0
- package/lib/commonjs/cli/mvs/mvs-print-schema.js +1 -0
- package/lib/commonjs/cli/mvs/mvs-render.d.ts +1 -0
- package/lib/commonjs/cli/mvs/mvs-render.js +1 -0
- package/lib/commonjs/cli/mvs/mvs-validate.d.ts +1 -0
- package/lib/commonjs/cli/mvs/mvs-validate.js +1 -0
- package/lib/commonjs/examples/alpha-orbitals/example-data.js +160 -160
- package/lib/commonjs/extensions/alpha-orbitals/gpu/shader.frag.js +136 -136
- package/lib/commonjs/extensions/alpha-orbitals/transforms.d.ts +2 -2
- package/lib/commonjs/extensions/anvil/behavior.d.ts +10 -9
- package/lib/commonjs/extensions/anvil/representation.d.ts +5 -0
- package/lib/commonjs/extensions/assembly-symmetry/behavior.d.ts +2 -1
- package/lib/commonjs/extensions/assembly-symmetry/prop.js +24 -24
- package/lib/commonjs/extensions/assembly-symmetry/representation.d.ts +1 -0
- package/lib/commonjs/extensions/backgrounds/index.d.ts +2 -2
- package/lib/commonjs/extensions/backgrounds/index.js +2 -1
- package/lib/commonjs/extensions/dnatco/behavior.d.ts +1 -1
- package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.d.ts +10 -10
- package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.js +5 -5
- package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.d.ts +3 -0
- package/lib/commonjs/extensions/dnatco/ntc-tube/behavior.d.ts +10 -10
- package/lib/commonjs/extensions/dnatco/ntc-tube/behavior.js +5 -5
- package/lib/commonjs/extensions/dnatco/ntc-tube/representation.d.ts +3 -0
- package/lib/commonjs/extensions/g3d/format.d.ts +6 -6
- package/lib/commonjs/extensions/geo-export/glb-exporter.d.ts +1 -1
- package/lib/commonjs/extensions/geo-export/glb-exporter.js +6 -4
- package/lib/commonjs/extensions/geo-export/index.d.ts +1 -1
- package/lib/commonjs/extensions/geo-export/usdz-exporter.js +41 -41
- package/lib/commonjs/extensions/meshes/mesh-extension.d.ts +2 -3
- package/lib/commonjs/extensions/meshes/mesh-streaming/behavior.d.ts +1 -1
- package/lib/commonjs/extensions/meshes/mesh-streaming/server-info.d.ts +2 -2
- package/lib/commonjs/extensions/model-archive/quality-assessment/behavior.d.ts +9 -9
- package/lib/commonjs/extensions/model-export/index.d.ts +1 -1
- package/lib/commonjs/extensions/mp4-export/index.d.ts +1 -1
- package/lib/commonjs/extensions/mvs/behavior.d.ts +1 -1
- package/lib/commonjs/extensions/mvs/camera.d.ts +2 -0
- package/lib/commonjs/extensions/mvs/camera.js +29 -2
- package/lib/commonjs/extensions/mvs/components/annotation-label/representation.d.ts +4 -0
- package/lib/commonjs/extensions/mvs/components/annotation-label/visual.d.ts +1 -0
- package/lib/commonjs/extensions/mvs/components/custom-label/representation.d.ts +4 -2
- package/lib/commonjs/extensions/mvs/components/custom-label/visual.d.ts +1 -0
- package/lib/commonjs/extensions/mvs/components/formats.d.ts +6 -4
- package/lib/commonjs/extensions/mvs/components/formats.js +2 -1
- package/lib/commonjs/extensions/mvs/load-helpers.d.ts +1 -1
- package/lib/commonjs/extensions/mvs/load.d.ts +2 -0
- package/lib/commonjs/extensions/mvs/load.js +12 -6
- package/lib/commonjs/extensions/mvs/tree/mvs/mvs-builder.d.ts +2 -8
- package/lib/commonjs/extensions/pdbe/structure-quality-report/behavior.d.ts +1 -1
- package/lib/commonjs/extensions/rcsb/validation-report/behavior.d.ts +22 -22
- package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +5 -0
- package/lib/commonjs/extensions/sb-ncbr/partial-charges/behavior.d.ts +1 -1
- package/lib/commonjs/extensions/sb-ncbr/partial-charges/preset.d.ts +4 -4
- package/lib/commonjs/extensions/volumes-and-segmentations/entry-meshes.d.ts +1 -1
- package/lib/commonjs/extensions/volumes-and-segmentations/entry-root.d.ts +5 -5
- package/lib/commonjs/extensions/volumes-and-segmentations/entry-segmentation.d.ts +1 -1
- package/lib/commonjs/extensions/volumes-and-segmentations/entry-state.d.ts +2 -2
- package/lib/commonjs/extensions/volumes-and-segmentations/global-state.d.ts +2 -2
- package/lib/commonjs/extensions/volumes-and-segmentations/helpers.d.ts +1 -1
- package/lib/commonjs/extensions/volumes-and-segmentations/index.d.ts +1 -1
- package/lib/commonjs/extensions/wwpdb/ccd/behavior.d.ts +1 -1
- package/lib/commonjs/extensions/wwpdb/ccd/representation.d.ts +4 -4
- package/lib/commonjs/extensions/zenodo/index.d.ts +1 -1
- package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +14 -2
- package/lib/commonjs/mol-canvas3d/canvas3d.js +2 -2
- package/lib/commonjs/mol-canvas3d/controls/trackball.js +1 -1
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.d.ts +1 -0
- package/lib/commonjs/mol-canvas3d/helper/helper.d.ts +2 -0
- package/lib/commonjs/mol-canvas3d/passes/background.d.ts +6 -1
- package/lib/commonjs/mol-canvas3d/passes/background.js +13 -1
- package/lib/commonjs/mol-canvas3d/passes/bloom.d.ts +37 -0
- package/lib/commonjs/mol-canvas3d/passes/bloom.js +272 -0
- package/lib/commonjs/mol-canvas3d/passes/dpoit.js +4 -2
- package/lib/commonjs/mol-canvas3d/passes/draw.d.ts +11 -7
- package/lib/commonjs/mol-canvas3d/passes/draw.js +29 -3
- package/lib/commonjs/mol-canvas3d/passes/image.d.ts +6 -0
- package/lib/commonjs/mol-canvas3d/passes/postprocessing.d.ts +31 -5
- package/lib/commonjs/mol-canvas3d/passes/postprocessing.js +35 -40
- package/lib/commonjs/mol-geo/geometry/base.d.ts +3 -1
- package/lib/commonjs/mol-geo/geometry/base.js +4 -1
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +2 -1
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.js +4 -1
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.d.ts +2 -1
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +4 -1
- package/lib/commonjs/mol-geo/geometry/emissive-data.d.ts +26 -0
- package/lib/commonjs/mol-geo/geometry/emissive-data.js +80 -0
- package/lib/commonjs/mol-geo/geometry/image/image.d.ts +2 -1
- package/lib/commonjs/mol-geo/geometry/image/image.js +4 -1
- package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +3 -2
- package/lib/commonjs/mol-geo/geometry/lines/lines.js +4 -1
- package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.d.ts +2 -1
- package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.js +36 -2
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.d.ts +2 -1
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +11 -4
- package/lib/commonjs/mol-geo/geometry/points/points.d.ts +3 -2
- package/lib/commonjs/mol-geo/geometry/points/points.js +4 -1
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +2 -2
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.js +7 -3
- package/lib/commonjs/mol-geo/geometry/text/text.d.ts +2 -1
- package/lib/commonjs/mol-geo/geometry/text/text.js +4 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.d.ts +2 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js +34 -2
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +3 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +14 -4
- package/lib/commonjs/mol-geo/util/location-iterator.d.ts +5 -2
- package/lib/commonjs/mol-geo/util/location-iterator.js +8 -3
- package/lib/commonjs/mol-gl/renderable/cylinders.d.ts +10 -0
- package/lib/commonjs/mol-gl/renderable/direct-volume.d.ts +10 -0
- package/lib/commonjs/mol-gl/renderable/image.d.ts +10 -0
- package/lib/commonjs/mol-gl/renderable/lines.d.ts +10 -0
- package/lib/commonjs/mol-gl/renderable/mesh.d.ts +10 -0
- package/lib/commonjs/mol-gl/renderable/points.d.ts +10 -0
- package/lib/commonjs/mol-gl/renderable/schema.d.ts +24 -1
- package/lib/commonjs/mol-gl/renderable/schema.js +15 -2
- package/lib/commonjs/mol-gl/renderable/spheres.d.ts +10 -0
- package/lib/commonjs/mol-gl/renderable/text.d.ts +10 -0
- package/lib/commonjs/mol-gl/renderable/texture-mesh.d.ts +10 -0
- package/lib/commonjs/mol-gl/renderable.d.ts +1 -1
- package/lib/commonjs/mol-gl/renderable.js +2 -2
- package/lib/commonjs/mol-gl/renderer.d.ts +2 -1
- package/lib/commonjs/mol-gl/renderer.js +58 -49
- package/lib/commonjs/mol-gl/scene.d.ts +3 -1
- package/lib/commonjs/mol-gl/scene.js +26 -1
- package/lib/commonjs/mol-gl/shader/background.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/background.frag.js +95 -94
- package/lib/commonjs/mol-gl/shader/background.vert.js +11 -11
- package/lib/commonjs/mol-gl/shader/blend-back-dpoit.frag.js +13 -13
- package/lib/commonjs/mol-gl/shader/bloom/blur.frag.d.ts +1 -0
- package/lib/commonjs/mol-gl/shader/bloom/blur.frag.js +32 -0
- package/lib/commonjs/mol-gl/shader/bloom/composite.frag.d.ts +1 -0
- package/lib/commonjs/mol-gl/shader/bloom/composite.frag.js +37 -0
- package/lib/commonjs/mol-gl/shader/bloom/luminosity.frag.d.ts +1 -0
- package/lib/commonjs/mol-gl/shader/bloom/luminosity.frag.js +56 -0
- package/lib/commonjs/mol-gl/shader/cas.frag.js +144 -144
- package/lib/commonjs/mol-gl/shader/chunks/apply-fog.glsl.js +31 -31
- package/lib/commonjs/mol-gl/shader/chunks/apply-interior-color.glsl.js +12 -12
- package/lib/commonjs/mol-gl/shader/chunks/apply-light-color.glsl.d.ts +2 -2
- package/lib/commonjs/mol-gl/shader/chunks/apply-light-color.glsl.js +78 -70
- package/lib/commonjs/mol-gl/shader/chunks/apply-marker-color.glsl.js +16 -16
- package/lib/commonjs/mol-gl/shader/chunks/assign-clipping-varying.glsl.js +8 -8
- 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 +140 -112
- package/lib/commonjs/mol-gl/shader/chunks/assign-group.glsl.js +6 -6
- package/lib/commonjs/mol-gl/shader/chunks/assign-marker-varying.glsl.js +8 -8
- 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 +112 -123
- package/lib/commonjs/mol-gl/shader/chunks/assign-position.glsl.js +14 -14
- package/lib/commonjs/mol-gl/shader/chunks/assign-size.glsl.js +18 -18
- package/lib/commonjs/mol-gl/shader/chunks/check-picking-alpha.glsl.js +12 -12
- package/lib/commonjs/mol-gl/shader/chunks/check-transparency.glsl.d.ts +1 -0
- package/lib/commonjs/mol-gl/shader/chunks/check-transparency.glsl.js +20 -0
- package/lib/commonjs/mol-gl/shader/chunks/clip-instance.glsl.js +7 -7
- package/lib/commonjs/mol-gl/shader/chunks/clip-pixel.glsl.js +5 -5
- 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 +60 -51
- 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 +122 -92
- package/lib/commonjs/mol-gl/shader/chunks/common-clip.glsl.js +104 -104
- 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 +150 -149
- package/lib/commonjs/mol-gl/shader/chunks/common-vert-params.glsl.js +61 -61
- package/lib/commonjs/mol-gl/shader/chunks/common.glsl.js +234 -234
- package/lib/commonjs/mol-gl/shader/chunks/dpoit-write.glsl.js +62 -62
- package/lib/commonjs/mol-gl/shader/chunks/fade-lod.glsl.js +42 -42
- package/lib/commonjs/mol-gl/shader/chunks/float-to-rgba.glsl.js +39 -39
- package/lib/commonjs/mol-gl/shader/chunks/light-frag-params.glsl.js +127 -127
- package/lib/commonjs/mol-gl/shader/chunks/matrix-scale.glsl.js +5 -5
- package/lib/commonjs/mol-gl/shader/chunks/normal-frag-params.glsl.js +2 -2
- package/lib/commonjs/mol-gl/shader/chunks/read-from-texture.glsl.js +14 -14
- package/lib/commonjs/mol-gl/shader/chunks/rgba-to-float.glsl.js +84 -84
- package/lib/commonjs/mol-gl/shader/chunks/size-vert-params.glsl.js +11 -11
- package/lib/commonjs/mol-gl/shader/chunks/texture3d-from-1d-trilinear.glsl.js +23 -23
- package/lib/commonjs/mol-gl/shader/chunks/texture3d-from-2d-linear.glsl.js +17 -17
- package/lib/commonjs/mol-gl/shader/chunks/texture3d-from-2d-nearest.glsl.js +8 -8
- package/lib/commonjs/mol-gl/shader/chunks/wboit-write.glsl.js +25 -25
- package/lib/commonjs/mol-gl/shader/compose.frag.js +12 -12
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.frag.js +23 -23
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.vert.js +43 -43
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/normalize.frag.js +15 -15
- package/lib/commonjs/mol-gl/shader/copy.frag.js +11 -11
- package/lib/commonjs/mol-gl/shader/cylinders.frag.d.ts +2 -2
- package/lib/commonjs/mol-gl/shader/cylinders.frag.js +267 -264
- package/lib/commonjs/mol-gl/shader/cylinders.vert.js +89 -89
- package/lib/commonjs/mol-gl/shader/depth-merge.frag.js +23 -23
- package/lib/commonjs/mol-gl/shader/direct-volume.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/direct-volume.frag.js +362 -356
- package/lib/commonjs/mol-gl/shader/direct-volume.vert.js +41 -41
- package/lib/commonjs/mol-gl/shader/evaluate-dpoit.frag.js +10 -10
- package/lib/commonjs/mol-gl/shader/evaluate-wboit.frag.js +17 -17
- package/lib/commonjs/mol-gl/shader/fxaa.frag.js +228 -228
- package/lib/commonjs/mol-gl/shader/gaussian-density.frag.js +49 -49
- package/lib/commonjs/mol-gl/shader/gaussian-density.vert.js +27 -27
- package/lib/commonjs/mol-gl/shader/hi-z.frag.js +18 -18
- package/lib/commonjs/mol-gl/shader/histogram-pyramid/reduction.frag.js +58 -58
- package/lib/commonjs/mol-gl/shader/histogram-pyramid/sum.frag.js +19 -19
- package/lib/commonjs/mol-gl/shader/image.frag.d.ts +2 -2
- package/lib/commonjs/mol-gl/shader/image.frag.js +170 -161
- package/lib/commonjs/mol-gl/shader/image.vert.js +21 -21
- package/lib/commonjs/mol-gl/shader/lines.frag.d.ts +2 -2
- package/lib/commonjs/mol-gl/shader/lines.frag.js +43 -40
- package/lib/commonjs/mol-gl/shader/lines.vert.js +117 -117
- package/lib/commonjs/mol-gl/shader/marching-cubes/active-voxels.frag.js +70 -70
- package/lib/commonjs/mol-gl/shader/marching-cubes/isosurface.frag.js +311 -311
- package/lib/commonjs/mol-gl/shader/marking/edge.frag.js +28 -28
- package/lib/commonjs/mol-gl/shader/marking/overlay.frag.js +26 -26
- package/lib/commonjs/mol-gl/shader/mesh.frag.d.ts +2 -2
- package/lib/commonjs/mol-gl/shader/mesh.frag.js +66 -63
- package/lib/commonjs/mol-gl/shader/mesh.vert.js +49 -49
- package/lib/commonjs/mol-gl/shader/outlines.frag.js +95 -95
- package/lib/commonjs/mol-gl/shader/points.frag.d.ts +2 -2
- package/lib/commonjs/mol-gl/shader/points.frag.js +60 -56
- package/lib/commonjs/mol-gl/shader/points.vert.js +38 -38
- package/lib/commonjs/mol-gl/shader/postprocessing.frag.js +150 -150
- package/lib/commonjs/mol-gl/shader/quad.vert.js +10 -10
- package/lib/commonjs/mol-gl/shader/shadows.frag.js +123 -123
- package/lib/commonjs/mol-gl/shader/smaa/blend.frag.js +56 -56
- package/lib/commonjs/mol-gl/shader/smaa/blend.vert.js +25 -25
- package/lib/commonjs/mol-gl/shader/smaa/edges.frag.js +66 -66
- package/lib/commonjs/mol-gl/shader/smaa/edges.vert.js +26 -26
- package/lib/commonjs/mol-gl/shader/smaa/weights.frag.js +206 -206
- package/lib/commonjs/mol-gl/shader/smaa/weights.vert.js +32 -32
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- package/lib/mol-repr/visual.d.ts +6 -1
- package/lib/mol-repr/visual.js +57 -3
- package/lib/mol-repr/volume/direct-volume.d.ts +3 -0
- package/lib/mol-repr/volume/isosurface.d.ts +6 -0
- package/lib/mol-repr/volume/registry.d.ts +4 -0
- package/lib/mol-repr/volume/representation.d.ts +2 -1
- package/lib/mol-repr/volume/representation.js +9 -2
- package/lib/mol-repr/volume/segment.d.ts +5 -0
- package/lib/mol-repr/volume/slice.d.ts +3 -0
- package/lib/mol-script/language/symbol-table/core.d.ts +3 -3
- package/lib/mol-state/tree/immutable.d.ts +1 -1
- package/lib/mol-state/tree/transient.d.ts +2 -2
- package/lib/mol-theme/color/external-volume.d.ts +3 -1
- package/lib/mol-theme/color/external-volume.js +8 -2
- package/lib/mol-theme/color.d.ts +1 -0
- package/lib/mol-theme/emissive.d.ts +40 -0
- package/lib/mol-theme/emissive.js +134 -0
- package/lib/mol-theme/substance.d.ts +1 -1
- package/lib/mol-theme/substance.js +2 -2
- package/lib/mol-theme/transparency.d.ts +0 -1
- package/lib/mol-util/input/input-observer.js +2 -0
- package/lib/mol-util/set.d.ts +1 -1
- package/lib/mol-util/set.js +17 -1
- package/lib/servers/common/swagger-ui/indexTemplate.js +66 -66
- package/lib/servers/volume/config.js +5 -5
- package/package.json +195 -193
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@@ -15,17 +15,17 @@ type Params = {
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};
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declare function defaultVisuals(plugin: PluginContext, data: {
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volume: StateObjectSelector<PluginStateObject.Volume.Data>;
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}): Promise<StateObjectSelector<PluginStateObject.Volume.Representation3D, import("../../mol-state
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}): Promise<StateObjectSelector<PluginStateObject.Volume.Representation3D, import("../../mol-state").StateTransformer<import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, any>>[]>;
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export declare const Ccp4Provider: {
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description: string;
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category: string;
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binaryExtensions: string[];
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parse: (plugin: PluginContext, data: import("../../mol-state").StateObjectRef<PluginStateObject.Data.String | PluginStateObject.Data.Binary>, params?: Params) => Promise<{
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format: StateObjectSelector<PluginStateObject.Format.Ccp4, import("../../mol-state
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volume: StateObjectSelector<PluginStateObject.Volume.Data, import("../../mol-state
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voxelSize: import("../../mol-math/linear-algebra
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offset: import("../../mol-math/linear-algebra
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format: StateObjectSelector<PluginStateObject.Format.Ccp4, import("../../mol-state").StateTransformer<PluginStateObject.Data.Binary, PluginStateObject.Format.Ccp4, import("../../mol-util/param-definition").ParamDefinition.Normalize<{}>>>;
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volume: StateObjectSelector<PluginStateObject.Volume.Data, import("../../mol-state").StateTransformer<PluginStateObject.Format.Ccp4, PluginStateObject.Volume.Data, import("../../mol-util/param-definition").ParamDefinition.Normalize<{
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voxelSize: import("../../mol-math/linear-algebra").Vec3;
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offset: import("../../mol-math/linear-algebra").Vec3;
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entryId: string;
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}>>>;
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}>;
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parse: (plugin: PluginContext, data: import("../../mol-state").StateObjectRef<PluginStateObject.Data.String | PluginStateObject.Data.Binary>, params?: Params) => Promise<{
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format: StateObjectSelector<PluginStateObject.Format.Dsn6, import("../../mol-state
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volume: StateObjectSelector<PluginStateObject.Volume.Data, import("../../mol-state
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voxelSize: import("../../mol-math/linear-algebra
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format: StateObjectSelector<PluginStateObject.Format.Dsn6, import("../../mol-state").StateTransformer<PluginStateObject.Data.Binary, PluginStateObject.Format.Dsn6, import("../../mol-util/param-definition").ParamDefinition.Normalize<{}>>>;
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volume: StateObjectSelector<PluginStateObject.Volume.Data, import("../../mol-state").StateTransformer<PluginStateObject.Format.Dsn6, PluginStateObject.Volume.Data, import("../../mol-util/param-definition").ParamDefinition.Normalize<{
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voxelSize: import("../../mol-math/linear-algebra").Vec3;
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parse: (plugin: PluginContext, data: import("../../mol-state").StateObjectRef<PluginStateObject.Data.String | PluginStateObject.Data.Binary>, params?: Params) => Promise<{
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volume: StateObjectSelector<PluginStateObject.Volume.Data, import("../../mol-state
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volume: StateObjectSelector<PluginStateObject.Volume.Data, import("../../mol-state").StateTransformer<PluginStateObject.Format.Dx, PluginStateObject.Volume.Data, import("../../mol-util/param-definition").ParamDefinition.Normalize<{}>>>;
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visuals: typeof defaultVisuals;
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format: StateObjectSelector<PluginStateObject.Format.Cube, import("../../mol-state
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volume: StateObjectSelector<PluginStateObject.Volume.Data, import("../../mol-state
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format: StateObjectSelector<PluginStateObject.Format.Cube, import("../../mol-state").StateTransformer<PluginStateObject.Data.String, PluginStateObject.Format.Cube, import("../../mol-util/param-definition").ParamDefinition.Normalize<{}>>>;
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volume: StateObjectSelector<PluginStateObject.Volume.Data, import("../../mol-state").StateTransformer<PluginStateObject.Format.Cube, PluginStateObject.Volume.Data, import("../../mol-util/param-definition").ParamDefinition.Normalize<{
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structure: StateObjectSelector<PluginStateObject.Molecule.Structure, import("../../mol-state
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structure: StateObjectSelector<PluginStateObject.Molecule.Structure, import("../../mol-state").StateTransformer<PluginStateObject.Molecule.Model, PluginStateObject.Molecule.Structure, import("../../mol-util/param-definition").ParamDefinition.Normalize<{
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}) => Promise<(StateObjectSelector<PluginStateObject.Molecule.Structure.Representation3D, import("../../mol-state
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}) => Promise<(StateObjectSelector<PluginStateObject.Molecule.Structure.Representation3D, import("../../mol-state").StateTransformer<import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, any>> | StateObjectSelector<PluginStateObject.Volume.Representation3D, import("../../mol-state").StateTransformer<import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, any>>)[]>;
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volumes: StateObjectSelector<PluginStateObject.Volume.Data, import("../../mol-state
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volumes: StateObjectSelector<PluginStateObject.Volume.Data, import("../../mol-state").StateTransformer<import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, any>>[];
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}) => Promise<StateObjectSelector<PluginStateObject.Volume.Representation3D, import("../../mol-state").StateTransformer<import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, any>>[]>;
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volumes: StateObjectSelector<PluginStateObject.Volume.Data, import("../../mol-state
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volumes: StateObjectSelector<PluginStateObject.Volume.Data, import("../../mol-state").StateTransformer<import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, any>>[];
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}) => Promise<StateObjectSelector<PluginStateObject.Volume.Representation3D, import("../../mol-state").StateTransformer<import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, any>>[]>;
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export declare const BuiltInVolumeFormats: readonly [readonly ["ccp4", {
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format: StateObjectSelector<PluginStateObject.Format.Ccp4, import("../../mol-state").StateTransformer<PluginStateObject.Data.Binary, PluginStateObject.Format.Ccp4, import("../../mol-util/param-definition").ParamDefinition.Normalize<{}>>>;
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volume: StateObjectSelector<PluginStateObject.Volume.Data, import("../../mol-state").StateTransformer<PluginStateObject.Format.Ccp4, PluginStateObject.Volume.Data, import("../../mol-util/param-definition").ParamDefinition.Normalize<{
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format: StateObjectSelector<PluginStateObject.Format.Dsn6, import("../../mol-state").StateTransformer<PluginStateObject.Data.Binary, PluginStateObject.Format.Dsn6, import("../../mol-util/param-definition").ParamDefinition.Normalize<{}>>>;
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volume: StateObjectSelector<PluginStateObject.Volume.Data, import("../../mol-state").StateTransformer<PluginStateObject.Format.Dsn6, PluginStateObject.Volume.Data, import("../../mol-util/param-definition").ParamDefinition.Normalize<{
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volume: StateObjectSelector<PluginStateObject.Volume.Data, import("../../mol-state").StateTransformer<PluginStateObject.Format.Cube, PluginStateObject.Volume.Data, import("../../mol-util/param-definition").ParamDefinition.Normalize<{
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}) => Promise<(StateObjectSelector<PluginStateObject.Molecule.Structure.Representation3D, import("../../mol-state").StateTransformer<import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, any>> | StateObjectSelector<PluginStateObject.Volume.Representation3D, import("../../mol-state").StateTransformer<import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, any>>)[]>;
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volume: StateObjectSelector<PluginStateObject.Volume.Data, import("../../mol-state").StateTransformer<PluginStateObject.Format.Dx, PluginStateObject.Volume.Data, import("../../mol-util/param-definition").ParamDefinition.Normalize<{}>>>;
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volumes: StateObjectSelector<PluginStateObject.Volume.Data, import("../../mol-state").StateTransformer<import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, any>>[];
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}) => Promise<StateObjectSelector<PluginStateObject.Volume.Representation3D, import("../../mol-state").StateTransformer<import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, any>>[]>;
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volumes: StateObjectSelector<PluginStateObject.Volume.Data, import("../../mol-state").StateTransformer<import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, any>>[];
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+
}) => Promise<StateObjectSelector<PluginStateObject.Volume.Representation3D, import("../../mol-state").StateTransformer<import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, import("../../mol-state").StateObject<any, import("../../mol-state").StateObject.Type<any>>, any>>[]>;
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}]];
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export type BuildInVolumeFormat = (typeof BuiltInVolumeFormats)[number][0];
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export {};
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@@ -0,0 +1,12 @@
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1
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+
/**
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* Copyright (c) 2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
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3
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+
*
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4
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+
* @author Alexander Rose <alexander.rose@weirdbyte.de>
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5
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+
* @author David Sehnal <david.sehnal@gmail.com>
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6
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+
*/
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7
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+
import { Structure, StructureElement } from '../../mol-model/structure';
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8
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+
import { PluginContext } from '../../mol-plugin/context';
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9
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+
import { StructureComponentRef } from '../manager/structure/hierarchy-state';
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10
|
+
import { EmptyLoci } from '../../mol-model/loci';
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11
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+
export declare function setStructureEmissive(plugin: PluginContext, components: StructureComponentRef[], value: number, lociGetter: (structure: Structure) => Promise<StructureElement.Loci | EmptyLoci>, types?: string[]): Promise<void>;
|
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12
|
+
export declare function clearStructureEmissive(plugin: PluginContext, components: StructureComponentRef[], types?: string[]): Promise<void>;
|
|
@@ -0,0 +1,64 @@
|
|
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1
|
+
/**
|
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2
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+
* Copyright (c) 2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
3
|
+
*
|
|
4
|
+
* @author Alexander Rose <alexander.rose@weirdbyte.de>
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5
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+
* @author David Sehnal <david.sehnal@gmail.com>
|
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6
|
+
*/
|
|
7
|
+
import { StructureElement } from '../../mol-model/structure';
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8
|
+
import { StateTransforms } from '../transforms';
|
|
9
|
+
import { StateSelection } from '../../mol-state';
|
|
10
|
+
import { isEmptyLoci, Loci } from '../../mol-model/loci';
|
|
11
|
+
import { Emissive } from '../../mol-theme/emissive';
|
|
12
|
+
const EmissiveManagerTag = 'emissive-controls';
|
|
13
|
+
export async function setStructureEmissive(plugin, components, value, lociGetter, types) {
|
|
14
|
+
await eachRepr(plugin, components, async (update, repr, emissiveCell) => {
|
|
15
|
+
if (types && types.length > 0 && !types.includes(repr.params.values.type.name))
|
|
16
|
+
return;
|
|
17
|
+
const structure = repr.obj.data.sourceData;
|
|
18
|
+
// always use the root structure to get the loci so the emissive
|
|
19
|
+
// stays applicable as long as the root structure does not change
|
|
20
|
+
const loci = await lociGetter(structure.root);
|
|
21
|
+
if (Loci.isEmpty(loci) || isEmptyLoci(loci))
|
|
22
|
+
return;
|
|
23
|
+
const layer = {
|
|
24
|
+
bundle: StructureElement.Bundle.fromLoci(loci),
|
|
25
|
+
value,
|
|
26
|
+
};
|
|
27
|
+
if (emissiveCell) {
|
|
28
|
+
const bundleLayers = [...emissiveCell.params.values.layers, layer];
|
|
29
|
+
const filtered = getFilteredBundle(bundleLayers, structure);
|
|
30
|
+
update.to(emissiveCell).update(Emissive.toBundle(filtered));
|
|
31
|
+
}
|
|
32
|
+
else {
|
|
33
|
+
const filtered = getFilteredBundle([layer], structure);
|
|
34
|
+
update.to(repr.transform.ref)
|
|
35
|
+
.apply(StateTransforms.Representation.EmissiveStructureRepresentation3DFromBundle, Emissive.toBundle(filtered), { tags: EmissiveManagerTag });
|
|
36
|
+
}
|
|
37
|
+
});
|
|
38
|
+
}
|
|
39
|
+
export async function clearStructureEmissive(plugin, components, types) {
|
|
40
|
+
await eachRepr(plugin, components, async (update, repr, emissiveCell) => {
|
|
41
|
+
if (types && types.length > 0 && !types.includes(repr.params.values.type.name))
|
|
42
|
+
return;
|
|
43
|
+
if (emissiveCell) {
|
|
44
|
+
update.delete(emissiveCell.transform.ref);
|
|
45
|
+
}
|
|
46
|
+
});
|
|
47
|
+
}
|
|
48
|
+
async function eachRepr(plugin, components, callback) {
|
|
49
|
+
const state = plugin.state.data;
|
|
50
|
+
const update = state.build();
|
|
51
|
+
for (const c of components) {
|
|
52
|
+
for (const r of c.representations) {
|
|
53
|
+
const emissive = state.select(StateSelection.Generators.ofTransformer(StateTransforms.Representation.EmissiveStructureRepresentation3DFromBundle, r.cell.transform.ref).withTag(EmissiveManagerTag));
|
|
54
|
+
await callback(update, r.cell, emissive[0]);
|
|
55
|
+
}
|
|
56
|
+
}
|
|
57
|
+
return update.commit({ doNotUpdateCurrent: true });
|
|
58
|
+
}
|
|
59
|
+
/** filter emissive layers for given structure */
|
|
60
|
+
function getFilteredBundle(layers, structure) {
|
|
61
|
+
const emissive = Emissive.ofBundle(layers, structure.root);
|
|
62
|
+
const merged = Emissive.merge(emissive);
|
|
63
|
+
return Emissive.filter(merged, structure);
|
|
64
|
+
}
|
|
@@ -52,7 +52,7 @@ export declare function EntityDescriptionQuery([names, label]: [string[], string
|
|
|
52
52
|
export declare function getElementQueries(structures: Structure[]): StructureSelectionQuery[];
|
|
53
53
|
export declare function getNonStandardResidueQueries(structures: Structure[]): StructureSelectionQuery[];
|
|
54
54
|
export declare function getPolymerAndBranchedEntityQueries(structures: Structure[]): StructureSelectionQuery[];
|
|
55
|
-
export declare function applyBuiltInSelection(to: StateBuilder.To<PluginStateObject.Molecule.Structure>, query: keyof typeof StructureSelectionQueries, customTag?: string): StateBuilder.To<PluginStateObject.Molecule.Structure, import("../../mol-state
|
|
55
|
+
export declare function applyBuiltInSelection(to: StateBuilder.To<PluginStateObject.Molecule.Structure>, query: keyof typeof StructureSelectionQueries, customTag?: string): StateBuilder.To<PluginStateObject.Molecule.Structure, import("../../mol-state").StateTransformer<PluginStateObject.Molecule.Structure, PluginStateObject.Molecule.Structure, import("../../mol-util/param-definition").ParamDefinition.Normalize<{
|
|
56
56
|
expression: Expression;
|
|
57
57
|
label: string | undefined;
|
|
58
58
|
}>>>;
|
|
@@ -1,5 +1,5 @@
|
|
|
1
1
|
/**
|
|
2
|
-
* Copyright (c) 2019-
|
|
2
|
+
* Copyright (c) 2019-2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
3
3
|
*
|
|
4
4
|
* @author David Sehnal <david.sehnal@gmail.com>
|
|
5
5
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
@@ -120,6 +120,8 @@ declare namespace StructureComponentManager {
|
|
|
120
120
|
action: PD.Mapped<PD.NamedParams<PD.Normalize<{
|
|
121
121
|
color: import("../../../mol-util/color").Color;
|
|
122
122
|
}>, "color"> | PD.NamedParams<PD.Normalize<{
|
|
123
|
+
value: number;
|
|
124
|
+
}>, "emissive"> | PD.NamedParams<PD.Normalize<{
|
|
123
125
|
material: PD.Normalize<{
|
|
124
126
|
metalness: number;
|
|
125
127
|
roughness: number;
|
|
@@ -1,5 +1,5 @@
|
|
|
1
1
|
/**
|
|
2
|
-
* Copyright (c) 2019-
|
|
2
|
+
* Copyright (c) 2019-2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
3
3
|
*
|
|
4
4
|
* @author David Sehnal <david.sehnal@gmail.com>
|
|
5
5
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
@@ -26,6 +26,7 @@ import { StructureFocusRepresentation } from '../../../mol-plugin/behavior/dynam
|
|
|
26
26
|
import { setStructureSubstance } from '../../helpers/structure-substance';
|
|
27
27
|
import { Material } from '../../../mol-util/material';
|
|
28
28
|
import { Clip } from '../../../mol-util/clip';
|
|
29
|
+
import { setStructureEmissive } from '../../helpers/structure-emissive';
|
|
29
30
|
export { StructureComponentManager };
|
|
30
31
|
class StructureComponentManager extends StatefulPluginComponent {
|
|
31
32
|
get currentStructures() {
|
|
@@ -357,6 +358,10 @@ class StructureComponentManager extends StatefulPluginComponent {
|
|
|
357
358
|
const p = params.action.params;
|
|
358
359
|
await setStructureTransparency(this.plugin, s.components, p.value, getLoci, params.representations);
|
|
359
360
|
}
|
|
361
|
+
else if (params.action.name === 'emissive') {
|
|
362
|
+
const p = params.action.params;
|
|
363
|
+
await setStructureEmissive(this.plugin, s.components, p.value, getLoci, params.representations);
|
|
364
|
+
}
|
|
360
365
|
else if (params.action.name === 'material') {
|
|
361
366
|
const p = params.action.params;
|
|
362
367
|
await setStructureSubstance(this.plugin, s.components, p.material, getLoci, params.representations);
|
|
@@ -466,6 +471,9 @@ class StructureComponentManager extends StatefulPluginComponent {
|
|
|
466
471
|
transparency: PD.Group({
|
|
467
472
|
value: PD.Numeric(0.5, { min: 0, max: 1, step: 0.01 }),
|
|
468
473
|
}, { isFlat: true }),
|
|
474
|
+
emissive: PD.Group({
|
|
475
|
+
value: PD.Numeric(0.5, { min: 0, max: 1, step: 0.01 }),
|
|
476
|
+
}, { isFlat: true }),
|
|
469
477
|
material: PD.Group({
|
|
470
478
|
material: Material.getParam({ isFlat: true }),
|
|
471
479
|
}, { isFlat: true }),
|