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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/**
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* Copyright (c) 2019-
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* Copyright (c) 2019-2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
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*
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* @author David Sehnal <david.sehnal@gmail.com>
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* @author Alexander Rose <alexander.rose@weirdbyte.de>
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* @author Ryan DiRisio <rjdiris@gmail.com>
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*/
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import { StructureElement } from '../../../mol-model/structure';
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import { PluginContext } from '../../../mol-plugin/context';
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import { StateTransform, StateTransformer, StateObjectCell } from '../../../mol-state';
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import { StateTransform, StateTransformer, StateObject, StateObjectCell } from '../../../mol-state';
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import { StateTransforms } from '../../transforms';
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import { PluginStateObject } from '../../objects';
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import { StatefulPluginComponent } from '../../component';
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import { ParamDefinition as PD } from '../../../mol-util/param-definition';
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import { LociLabelTextParams } from '../../../mol-repr/shape/loci/common';
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import { LineParams } from '../../../mol-repr/structure/representation/line';
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import { Color } from '../../../mol-util/color';
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export { StructureMeasurementManager };
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export declare const MeasurementGroupTag = "measurement-group";
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export declare const MeasurementOrderLabelTag = "measurement-order-label";
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@@ -48,19 +50,349 @@ declare class StructureMeasurementManager extends StatefulPluginComponent<Struct
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setOptions(options: StructureMeasurementOptions): Promise<void>;
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addDistance(a: StructureElement.Loci, b: StructureElement.Loci, options?: StructureMeasurementManagerAddOptions & {
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visualParams?: Partial<StateTransformer.Params<typeof StateTransforms.Representation.StructureSelectionsDistance3D>>;
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}): Promise<
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}): Promise<{
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selection: import("../../../mol-state").StateObjectSelector<PluginStateObject.Molecule.Structure.Selections, StateTransformer<PluginStateObject.Root, PluginStateObject.Molecule.Structure.Selections, PD.Normalize<{
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selections: PD.Normalize<{
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key: any;
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ref: any;
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groupId: any;
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expression: any;
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}>[];
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isTransitive: boolean | undefined;
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label: string | undefined;
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}>>>;
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representation: import("../../../mol-state").StateObjectSelector<PluginStateObject.Shape.Representation3D, StateTransformer<PluginStateObject.Molecule.Structure.Selections, PluginStateObject.Shape.Representation3D, PD.Normalize<{
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visuals: ("text" | "lines")[];
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unitLabel: string;
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borderWidth: number;
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customText: string;
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textColor: Color;
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textSize: number;
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sizeFactor: number;
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borderColor: Color;
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offsetX: number;
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offsetY: number;
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offsetZ: number;
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background: boolean;
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backgroundMargin: number;
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backgroundColor: Color;
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backgroundOpacity: number;
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tether: boolean;
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tetherLength: number;
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tetherBaseWidth: number;
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attachment: "bottom-left" | "bottom-center" | "bottom-right" | "middle-left" | "middle-center" | "middle-right" | "top-left" | "top-center" | "top-right";
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fontFamily: import("../../../mol-geo/geometry/text/font-atlas").FontFamily;
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fontQuality: number;
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fontStyle: import("../../../mol-geo/geometry/text/font-atlas").FontStyle;
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fontVariant: import("../../../mol-geo/geometry/text/font-atlas").FontVariant;
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fontWeight: import("../../../mol-geo/geometry/text/font-atlas").FontWeight;
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alpha: number;
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quality: "auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest";
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material: PD.Normalize<{
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metalness: number;
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roughness: number;
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bumpiness: number;
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}>;
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clip: PD.Normalize<{
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variant: any;
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objects: any;
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}>;
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emissive: number;
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instanceGranularity: boolean;
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lod: import("../../../mol-math/linear-algebra").Vec3;
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cellSize: number;
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batchSize: number;
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lineSizeAttenuation: boolean;
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linesColor: Color;
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linesSize: number;
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dashLength: number;
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}>>>;
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} | undefined>;
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addAngle(a: StructureElement.Loci, b: StructureElement.Loci, c: StructureElement.Loci, options?: StructureMeasurementManagerAddOptions & {
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visualParams?: Partial<StateTransformer.Params<typeof StateTransforms.Representation.StructureSelectionsAngle3D>>;
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}): Promise<
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}): Promise<{
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selection: import("../../../mol-state").StateObjectSelector<PluginStateObject.Molecule.Structure.Selections, StateTransformer<PluginStateObject.Root, PluginStateObject.Molecule.Structure.Selections, PD.Normalize<{
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selections: PD.Normalize<{
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key: any;
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expression: any;
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}>[];
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isTransitive: boolean | undefined;
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label: string | undefined;
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}>>>;
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representation: import("../../../mol-state").StateObjectSelector<PluginStateObject.Shape.Representation3D, StateTransformer<PluginStateObject.Molecule.Structure.Selections, PluginStateObject.Shape.Representation3D, PD.Normalize<{
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visuals: ("text" | "vectors" | "sector" | "arc")[];
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textColor: Color;
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borderColor: Color;
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background: boolean;
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backgroundMargin: number;
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backgroundColor: Color;
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backgroundOpacity: number;
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tether: boolean;
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tetherLength: number;
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tetherBaseWidth: number;
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attachment: "bottom-left" | "bottom-center" | "bottom-right" | "middle-left" | "middle-center" | "middle-right" | "top-left" | "top-center" | "top-right";
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fontFamily: import("../../../mol-geo/geometry/text/font-atlas").FontFamily;
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fontQuality: number;
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fontStyle: import("../../../mol-geo/geometry/text/font-atlas").FontStyle;
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fontVariant: import("../../../mol-geo/geometry/text/font-atlas").FontVariant;
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fontWeight: import("../../../mol-geo/geometry/text/font-atlas").FontWeight;
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alpha: number;
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quality: "auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest";
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material: PD.Normalize<{
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metalness: number;
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roughness: number;
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bumpiness: number;
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}>;
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clip: PD.Normalize<{
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objects: any;
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}>;
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emissive: number;
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instanceGranularity: boolean;
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lod: import("../../../mol-math/linear-algebra").Vec3;
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cellSize: number;
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batchSize: number;
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ignoreLight: boolean;
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sectorOpacity: number;
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color: Color;
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arcScale: number;
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doubleSided: boolean;
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flipSided: boolean;
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flatShaded: boolean;
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xrayShaded: boolean | "inverted";
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transparentBackfaces: "on" | "off" | "opaque";
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bumpFrequency: number;
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bumpAmplitude: number;
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lineSizeAttenuation: boolean;
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linesSize: number;
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dashLength: number;
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}>>>;
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} | undefined>;
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addDihedral(a: StructureElement.Loci, b: StructureElement.Loci, c: StructureElement.Loci, d: StructureElement.Loci, options?: StructureMeasurementManagerAddOptions & {
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visualParams?: Partial<StateTransformer.Params<typeof StateTransforms.Representation.StructureSelectionsDihedral3D>>;
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}): Promise<
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}): Promise<{
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selection: import("../../../mol-state").StateObjectSelector<PluginStateObject.Molecule.Structure.Selections, StateTransformer<PluginStateObject.Root, PluginStateObject.Molecule.Structure.Selections, PD.Normalize<{
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selections: PD.Normalize<{
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expression: any;
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}>[];
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isTransitive: boolean | undefined;
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label: string | undefined;
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}>>>;
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representation: import("../../../mol-state").StateObjectSelector<PluginStateObject.Shape.Representation3D, StateTransformer<PluginStateObject.Molecule.Structure.Selections, PluginStateObject.Shape.Representation3D, PD.Normalize<{
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visuals: ("text" | "vectors" | "sector" | "arc" | "extenders" | "arms" | "connector")[];
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borderWidth: number;
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customText: string;
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textColor: Color;
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textSize: number;
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sizeFactor: number;
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borderColor: Color;
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offsetX: number;
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offsetY: number;
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offsetZ: number;
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background: boolean;
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backgroundMargin: number;
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backgroundColor: Color;
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backgroundOpacity: number;
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tether: boolean;
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tetherLength: number;
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tetherBaseWidth: number;
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attachment: "bottom-left" | "bottom-center" | "bottom-right" | "middle-left" | "middle-center" | "middle-right" | "top-left" | "top-center" | "top-right";
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fontFamily: import("../../../mol-geo/geometry/text/font-atlas").FontFamily;
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fontQuality: number;
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fontStyle: import("../../../mol-geo/geometry/text/font-atlas").FontStyle;
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fontVariant: import("../../../mol-geo/geometry/text/font-atlas").FontVariant;
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fontWeight: import("../../../mol-geo/geometry/text/font-atlas").FontWeight;
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alpha: number;
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quality: "auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest";
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material: PD.Normalize<{
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metalness: number;
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roughness: number;
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bumpiness: number;
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}>;
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clip: PD.Normalize<{
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}>;
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lod: import("../../../mol-math/linear-algebra").Vec3;
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cellSize: number;
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batchSize: number;
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ignoreLight: boolean;
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sectorOpacity: number;
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color: Color;
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arcScale: number;
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doubleSided: boolean;
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flipSided: boolean;
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flatShaded: boolean;
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xrayShaded: boolean | "inverted";
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transparentBackfaces: "on" | "off" | "opaque";
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bumpFrequency: number;
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bumpAmplitude: number;
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lineSizeAttenuation: boolean;
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linesSize: number;
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dashLength: number;
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}>>>;
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} | undefined>;
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addLabel(a: StructureElement.Loci, options?: Omit<StructureMeasurementManagerAddOptions, 'customText' | 'lineParams'> & {
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visualParams?: Partial<StateTransformer.Params<typeof StateTransforms.Representation.StructureSelectionsLabel3D>>;
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}): Promise<
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}): Promise<{
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selection: import("../../../mol-state").StateObjectSelector<PluginStateObject.Molecule.Structure.Selections, StateTransformer<PluginStateObject.Root, PluginStateObject.Molecule.Structure.Selections, PD.Normalize<{
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selections: PD.Normalize<{
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key: any;
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ref: any;
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groupId: any;
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expression: any;
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}>[];
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isTransitive: boolean | undefined;
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label: string | undefined;
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}>>>;
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representation: import("../../../mol-state").StateObjectSelector<PluginStateObject.Shape.Representation3D, StateTransformer<PluginStateObject.Molecule.Structure.Selections, PluginStateObject.Shape.Representation3D, PD.Normalize<{
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scaleByRadius: boolean;
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visuals: "text"[];
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snapshotKey: string;
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tooltip: string;
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borderWidth: number;
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customText: string;
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textColor: Color;
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textSize: number;
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sizeFactor: number;
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borderColor: Color;
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offsetX: number;
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offsetY: number;
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offsetZ: number;
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background: boolean;
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backgroundMargin: number;
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backgroundColor: Color;
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backgroundOpacity: number;
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tether: boolean;
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tetherLength: number;
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tetherBaseWidth: number;
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attachment: "bottom-left" | "bottom-center" | "bottom-right" | "middle-left" | "middle-center" | "middle-right" | "top-left" | "top-center" | "top-right";
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fontFamily: import("../../../mol-geo/geometry/text/font-atlas").FontFamily;
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fontQuality: number;
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fontStyle: import("../../../mol-geo/geometry/text/font-atlas").FontStyle;
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fontVariant: import("../../../mol-geo/geometry/text/font-atlas").FontVariant;
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fontWeight: import("../../../mol-geo/geometry/text/font-atlas").FontWeight;
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alpha: number;
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quality: "auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest";
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material: PD.Normalize<{
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metalness: number;
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} | undefined>;
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addOrderLabels(locis: StructureElement.Loci[]): Promise<{
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representation: import("../../../mol-state").StateObjectSelector<StateObject<any, StateObject.Type<any>>, StateTransformer<StateObject<any, StateObject.Type<any>>, StateObject<any, StateObject.Type<any>>, any>> | import("../../../mol-state").StateObjectSelector<StateObject<any, StateObject.Type<any>>, StateTransformer<never, PluginStateObject.Group, PD.Normalize<{
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description: string | undefined;
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}>>>;
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}>;
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private sync;
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@@ -1,9 +1,10 @@
|
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1
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"use strict";
|
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/**
|
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* Copyright (c) 2019-
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* Copyright (c) 2019-2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
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*
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* @author Ryan DiRisio <rjdiris@gmail.com>
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*/
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Object.defineProperty(exports, "__esModule", { value: true });
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exports.StructureMeasurementParams = exports.MeasurementOrderLabelTag = exports.MeasurementGroupTag = exports.StructureMeasurementManager = void 0;
|
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@@ -67,7 +68,7 @@ class StructureMeasurementManager extends component_1.StatefulPluginComponent {
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const dependsOn = [cellA.transform.ref];
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(0, array_1.arraySetAdd)(dependsOn, cellB.transform.ref);
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update
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.apply(transforms_1.StateTransforms.Model.MultiStructureSelectionFromExpression, {
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selections: [
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{ key: 'a', groupId: 'a', ref: cellA.transform.ref, expression: structure_1.StructureElement.Loci.toExpression(a) },
|
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@@ -75,7 +76,8 @@ class StructureMeasurementManager extends component_1.StatefulPluginComponent {
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],
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label: 'Distance'
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}, { dependsOn, tags: options === null || options === void 0 ? void 0 : options.selectionTags })
|
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}, { dependsOn, tags: options === null || options === void 0 ? void 0 : options.selectionTags });
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const representation = selection
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.apply(transforms_1.StateTransforms.Representation.StructureSelectionsDistance3D, {
|
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customText: (options === null || options === void 0 ? void 0 : options.customText) || '',
|
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unitLabel: this.state.options.distanceUnitLabel,
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|
@@ -85,7 +87,8 @@ class StructureMeasurementManager extends component_1.StatefulPluginComponent {
|
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|
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await commands_1.PluginCommands.State.Update(this.plugin, { state, tree:
|
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await commands_1.PluginCommands.State.Update(this.plugin, { state, tree: representation, options: { doNotLogTiming: true } });
|
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return { selection: selection.selector, representation: representation.selector };
|
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}
|
|
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|
async addAngle(a, b, c, options) {
|
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|
|
@@ -97,7 +100,7 @@ class StructureMeasurementManager extends component_1.StatefulPluginComponent {
|
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(0, array_1.arraySetAdd)(dependsOn, cellB.transform.ref);
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(0, array_1.arraySetAdd)(dependsOn, cellC.transform.ref);
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update
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|
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.apply(transforms_1.StateTransforms.Model.MultiStructureSelectionFromExpression, {
|
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selections: [
|
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|
{ key: 'a', ref: cellA.transform.ref, expression: structure_1.StructureElement.Loci.toExpression(a) },
|
|
@@ -106,7 +109,8 @@ class StructureMeasurementManager extends component_1.StatefulPluginComponent {
|
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],
|
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|
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label: 'Angle'
|
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|
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}, { dependsOn, tags: options === null || options === void 0 ? void 0 : options.selectionTags })
|
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|
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}, { dependsOn, tags: options === null || options === void 0 ? void 0 : options.selectionTags });
|
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const representation = selection
|
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.apply(transforms_1.StateTransforms.Representation.StructureSelectionsAngle3D, {
|
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customText: (options === null || options === void 0 ? void 0 : options.customText) || '',
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textColor: this.state.options.textColor,
|
|
@@ -115,7 +119,8 @@ class StructureMeasurementManager extends component_1.StatefulPluginComponent {
|
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|
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|
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|
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await commands_1.PluginCommands.State.Update(this.plugin, { state, tree:
|
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await commands_1.PluginCommands.State.Update(this.plugin, { state, tree: representation, options: { doNotLogTiming: true } });
|
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return { selection: selection.selector, representation: representation.selector };
|
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|
}
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async addDihedral(a, b, c, d, options) {
|
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|
|
@@ -129,7 +134,7 @@ class StructureMeasurementManager extends component_1.StatefulPluginComponent {
|
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(0, array_1.arraySetAdd)(dependsOn, cellC.transform.ref);
|
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(0, array_1.arraySetAdd)(dependsOn, cellD.transform.ref);
|
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|
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update
|
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const selection = update
|
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|
.apply(transforms_1.StateTransforms.Model.MultiStructureSelectionFromExpression, {
|
|
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|
selections: [
|
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|
{ key: 'a', ref: cellA.transform.ref, expression: structure_1.StructureElement.Loci.toExpression(a) },
|
|
@@ -139,8 +144,8 @@ class StructureMeasurementManager extends component_1.StatefulPluginComponent {
|
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],
|
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|
isTransitive: true,
|
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|
label: 'Dihedral'
|
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|
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}, { dependsOn, tags: options === null || options === void 0 ? void 0 : options.selectionTags })
|
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|
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|
|
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|
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}, { dependsOn, tags: options === null || options === void 0 ? void 0 : options.selectionTags });
|
|
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|
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const representation = selection.apply(transforms_1.StateTransforms.Representation.StructureSelectionsDihedral3D, {
|
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customText: (options === null || options === void 0 ? void 0 : options.customText) || '',
|
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textColor: this.state.options.textColor,
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|
...options === null || options === void 0 ? void 0 : options.lineParams,
|
|
@@ -148,7 +153,8 @@ class StructureMeasurementManager extends component_1.StatefulPluginComponent {
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const state = this.plugin.state.data;
|
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|
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await commands_1.PluginCommands.State.Update(this.plugin, { state, tree:
|
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await commands_1.PluginCommands.State.Update(this.plugin, { state, tree: representation, options: { doNotLogTiming: true } });
|
|
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|
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return { selection: selection.selector, representation: representation.selector };
|
|
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|
}
|
|
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|
async addLabel(a, options) {
|
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const cellA = this.plugin.helpers.substructureParent.get(a.structure);
|
|
@@ -156,21 +162,23 @@ class StructureMeasurementManager extends component_1.StatefulPluginComponent {
|
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return;
|
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|
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|
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|
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update
|
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|
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const selection = update
|
|
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|
.apply(transforms_1.StateTransforms.Model.MultiStructureSelectionFromExpression, {
|
|
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selections: [
|
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{ key: 'a', ref: cellA.transform.ref, expression: structure_1.StructureElement.Loci.toExpression(a) },
|
|
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],
|
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label: 'Label'
|
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}, { dependsOn, tags: options === null || options === void 0 ? void 0 : options.selectionTags })
|
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}, { dependsOn, tags: options === null || options === void 0 ? void 0 : options.selectionTags });
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const representation = selection
|
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.apply(transforms_1.StateTransforms.Representation.StructureSelectionsLabel3D, {
|
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textColor: this.state.options.textColor,
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const state = this.plugin.state.data;
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await commands_1.PluginCommands.State.Update(this.plugin, { state, tree:
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await commands_1.PluginCommands.State.Update(this.plugin, { state, tree: representation, options: { doNotLogTiming: true } });
|
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return { selection: selection.selector, representation: representation.selector };
|
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|
}
|
|
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|
async addOrientation(locis) {
|
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|
const selections = [];
|
|
@@ -186,15 +194,17 @@ class StructureMeasurementManager extends component_1.StatefulPluginComponent {
|
|
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|
if (selections.length === 0)
|
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return;
|
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|
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|
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|
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|
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const selection = update
|
|
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|
.apply(transforms_1.StateTransforms.Model.MultiStructureSelectionFromExpression, {
|
|
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|
selections,
|
|
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|
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|
|
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label: 'Orientation'
|
|
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|
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}, { dependsOn })
|
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|
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}, { dependsOn });
|
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|
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const representation = selection
|
|
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|
.apply(transforms_1.StateTransforms.Representation.StructureSelectionsOrientation3D);
|
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|
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|
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|
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await commands_1.PluginCommands.State.Update(this.plugin, { state, tree:
|
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|
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await commands_1.PluginCommands.State.Update(this.plugin, { state, tree: representation, options: { doNotLogTiming: true } });
|
|
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|
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return { selection: selection.selector, representation: representation.selector };
|
|
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|
}
|
|
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209
|
async addPlane(locis) {
|
|
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|
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|
|
@@ -210,15 +220,17 @@ class StructureMeasurementManager extends component_1.StatefulPluginComponent {
|
|
|
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|
if (selections.length === 0)
|
|
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|
return;
|
|
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|
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|
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|
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update
|
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|
+
const selection = update
|
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|
.apply(transforms_1.StateTransforms.Model.MultiStructureSelectionFromExpression, {
|
|
215
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|
selections,
|
|
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|
isTransitive: true,
|
|
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|
label: 'Plane'
|
|
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|
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}, { dependsOn })
|
|
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|
+
}, { dependsOn });
|
|
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|
+
const representation = selection
|
|
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|
.apply(transforms_1.StateTransforms.Representation.StructureSelectionsPlane3D);
|
|
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|
const state = this.plugin.state.data;
|
|
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|
await commands_1.PluginCommands.State.Update(this.plugin, { state, tree: update, options: { doNotLogTiming: true } });
|
|
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|
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return { selection: selection.selector, representation: representation.selector };
|
|
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|
}
|
|
223
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|
async addOrderLabels(locis) {
|
|
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|
const update = this.getGroup();
|
|
@@ -250,6 +262,7 @@ class StructureMeasurementManager extends component_1.StatefulPluginComponent {
|
|
|
250
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|
}
|
|
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|
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|
|
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|
await commands_1.PluginCommands.State.Update(this.plugin, { state, tree: update, options: { doNotLogTiming: true } });
|
|
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|
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return { representation: update.selector };
|
|
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|
}
|
|
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|
getTransforms(transformer) {
|
|
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const state = this.plugin.state.data;
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@@ -70,7 +70,7 @@ export declare class StructureSelectionManager extends StatefulPluginComponent<S
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70
70
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min: Vec3;
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71
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max: Vec3;
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72
72
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};
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73
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-
sphere: import("../../../mol-math/geometry
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73
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+
sphere: import("../../../mol-math/geometry").Sphere3D;
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74
74
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};
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75
75
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getPrincipalAxes(): PrincipalAxes;
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76
76
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modify(modifier: StructureSelectionModifier, loci: Loci): void;
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@@ -22,7 +22,7 @@ export declare class VolumeHierarchyManager extends PluginComponent {
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22
22
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setCurrent(volume?: VolumeRef): void;
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23
23
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remove(refs: (VolumeHierarchyRef | string)[], canUndo?: boolean): Promise<void> | undefined;
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24
24
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toggleVisibility(refs: ReadonlyArray<VolumeHierarchyRef>, action?: 'show' | 'hide'): void;
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25
|
-
addRepresentation(ref: VolumeRef, type: string): Promise<import("../../../mol-state").StateObjectSelector<import("../../objects").PluginStateObject.Volume.Representation3D, import("../../../mol-state
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25
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+
addRepresentation(ref: VolumeRef, type: string): Promise<import("../../../mol-state").StateObjectSelector<import("../../objects").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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26
26
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constructor(plugin: PluginContext);
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27
27
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}
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28
28
|
export declare namespace VolumeHierarchyManager {
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