molstar 4.3.0 → 4.4.1
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.css +1 -1
- 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 +1 -1
- package/lib/apps/docking-viewer/viewport.js +2 -1
- package/lib/apps/mesoscale-explorer/app.d.ts +3 -1
- package/lib/apps/mesoscale-explorer/app.js +12 -1
- package/lib/apps/mesoscale-explorer/behavior/camera.d.ts +12 -0
- package/lib/apps/mesoscale-explorer/behavior/camera.js +32 -6
- package/lib/apps/mesoscale-explorer/behavior/select.d.ts +1 -0
- package/lib/apps/mesoscale-explorer/behavior/select.js +58 -9
- package/lib/apps/mesoscale-explorer/data/cellpack/model.js +4 -6
- package/lib/apps/mesoscale-explorer/data/cellpack/preset.js +8 -5
- package/lib/apps/mesoscale-explorer/data/generic/model.d.ts +1 -0
- package/lib/apps/mesoscale-explorer/data/generic/model.js +2 -1
- package/lib/apps/mesoscale-explorer/data/generic/preset.js +7 -6
- package/lib/apps/mesoscale-explorer/data/mmcif/model.js +3 -1
- package/lib/apps/mesoscale-explorer/data/mmcif/preset.js +6 -3
- package/lib/apps/mesoscale-explorer/data/petworld/model.js +3 -1
- package/lib/apps/mesoscale-explorer/data/petworld/preset.js +6 -3
- package/lib/apps/mesoscale-explorer/data/state.d.ts +48 -10
- package/lib/apps/mesoscale-explorer/data/state.js +83 -8
- package/lib/apps/mesoscale-explorer/index.html +106 -101
- package/lib/apps/mesoscale-explorer/style.scss +66 -33
- package/lib/apps/mesoscale-explorer/ui/entities.d.ts +23 -1
- package/lib/apps/mesoscale-explorer/ui/entities.js +301 -32
- package/lib/apps/mesoscale-explorer/ui/panels.d.ts +1 -0
- package/lib/apps/mesoscale-explorer/ui/panels.js +42 -5
- package/lib/apps/mesoscale-explorer/ui/states.d.ts +60 -2
- package/lib/apps/mesoscale-explorer/ui/states.js +471 -11
- package/lib/apps/viewer/app.d.ts +10 -4
- package/lib/apps/viewer/app.js +28 -0
- 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/cifschema/util/generate.js +12 -12
- package/lib/cli/lipid-params/index.js +9 -9
- package/lib/commonjs/apps/docking-viewer/viewport.d.ts +1 -1
- package/lib/commonjs/apps/docking-viewer/viewport.js +2 -1
- package/lib/commonjs/apps/mesoscale-explorer/app.d.ts +3 -1
- package/lib/commonjs/apps/mesoscale-explorer/app.js +12 -1
- package/lib/commonjs/apps/mesoscale-explorer/behavior/camera.d.ts +12 -0
- package/lib/commonjs/apps/mesoscale-explorer/behavior/camera.js +34 -8
- package/lib/commonjs/apps/mesoscale-explorer/behavior/select.d.ts +1 -0
- package/lib/commonjs/apps/mesoscale-explorer/behavior/select.js +58 -9
- package/lib/commonjs/apps/mesoscale-explorer/data/cellpack/model.js +4 -6
- package/lib/commonjs/apps/mesoscale-explorer/data/cellpack/preset.js +8 -6
- package/lib/commonjs/apps/mesoscale-explorer/data/generic/model.d.ts +1 -0
- package/lib/commonjs/apps/mesoscale-explorer/data/generic/model.js +2 -1
- package/lib/commonjs/apps/mesoscale-explorer/data/generic/preset.js +9 -9
- package/lib/commonjs/apps/mesoscale-explorer/data/mmcif/model.js +3 -1
- package/lib/commonjs/apps/mesoscale-explorer/data/mmcif/preset.js +6 -4
- package/lib/commonjs/apps/mesoscale-explorer/data/petworld/model.js +3 -1
- package/lib/commonjs/apps/mesoscale-explorer/data/petworld/preset.js +6 -4
- package/lib/commonjs/apps/mesoscale-explorer/data/state.d.ts +48 -10
- package/lib/commonjs/apps/mesoscale-explorer/data/state.js +107 -28
- package/lib/commonjs/apps/mesoscale-explorer/data/util.js +2 -3
- package/lib/commonjs/apps/mesoscale-explorer/ui/entities.d.ts +23 -1
- package/lib/commonjs/apps/mesoscale-explorer/ui/entities.js +302 -30
- package/lib/commonjs/apps/mesoscale-explorer/ui/panels.d.ts +1 -0
- package/lib/commonjs/apps/mesoscale-explorer/ui/panels.js +39 -2
- package/lib/commonjs/apps/mesoscale-explorer/ui/states.d.ts +60 -2
- package/lib/commonjs/apps/mesoscale-explorer/ui/states.js +477 -13
- package/lib/commonjs/apps/viewer/app.d.ts +10 -4
- package/lib/commonjs/apps/viewer/app.js +28 -0
- 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.js +7 -7
- package/lib/commonjs/cli/cif2bcif/converter.js +1 -2
- package/lib/commonjs/cli/cifschema/util/cif-dic.js +2 -3
- package/lib/commonjs/cli/cifschema/util/generate.js +13 -14
- package/lib/commonjs/cli/cifschema/util/helper.js +1 -2
- package/lib/commonjs/cli/cifschema/util/schema.js +9 -10
- package/lib/commonjs/cli/lipid-params/index.js +9 -9
- package/lib/commonjs/cli/state-docs/pd-to-md.js +1 -2
- package/lib/commonjs/cli/structure-info/helpers.js +2 -3
- package/lib/commonjs/cli/structure-info/model.js +11 -12
- package/lib/commonjs/examples/alpha-orbitals/controls.js +1 -2
- package/lib/commonjs/examples/alpha-orbitals/example-data.js +160 -160
- package/lib/commonjs/examples/basic-wrapper/custom-theme.js +2 -2
- package/lib/commonjs/examples/basic-wrapper/superposition.js +3 -3
- package/lib/commonjs/examples/domain-annotation-server/mapping.js +1 -2
- package/lib/commonjs/examples/lighting/index.d.ts +1 -1
- package/lib/commonjs/examples/lighting/index.js +2 -1
- package/lib/commonjs/examples/proteopedia-wrapper/coloring.d.ts +5 -20
- package/lib/commonjs/examples/proteopedia-wrapper/coloring.js +1 -2
- package/lib/commonjs/examples/proteopedia-wrapper/ui/controls.js +1 -2
- package/lib/commonjs/examples/task.js +6 -6
- package/lib/commonjs/extensions/alpha-orbitals/collocation.js +1 -2
- package/lib/commonjs/extensions/alpha-orbitals/data-model.js +4 -5
- package/lib/commonjs/extensions/alpha-orbitals/density.js +2 -3
- package/lib/commonjs/extensions/alpha-orbitals/gpu/compute.js +2 -3
- package/lib/commonjs/extensions/alpha-orbitals/gpu/shader.frag.js +136 -136
- package/lib/commonjs/extensions/alpha-orbitals/orbitals.js +2 -3
- package/lib/commonjs/extensions/alpha-orbitals/spherical-functions.js +2 -2
- package/lib/commonjs/extensions/alpha-orbitals/transforms.d.ts +3 -3
- package/lib/commonjs/extensions/anvil/algorithm.js +5 -5
- package/lib/commonjs/extensions/anvil/behavior.d.ts +1 -0
- package/lib/commonjs/extensions/anvil/behavior.js +2 -2
- package/lib/commonjs/extensions/anvil/representation.d.ts +4 -0
- package/lib/commonjs/extensions/anvil/representation.js +3 -3
- package/lib/commonjs/extensions/assembly-symmetry/behavior.d.ts +1 -0
- package/lib/commonjs/extensions/assembly-symmetry/behavior.js +3 -3
- package/lib/commonjs/extensions/assembly-symmetry/color.d.ts +2 -2
- package/lib/commonjs/extensions/assembly-symmetry/color.js +3 -3
- package/lib/commonjs/extensions/assembly-symmetry/prop.js +27 -27
- package/lib/commonjs/extensions/assembly-symmetry/representation.d.ts +1 -0
- package/lib/commonjs/extensions/assembly-symmetry/representation.js +2 -2
- package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.js +7 -7
- package/lib/commonjs/extensions/dnatco/confal-pyramids/color.js +3 -3
- package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.d.ts +3 -0
- package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.js +3 -3
- package/lib/commonjs/extensions/dnatco/ntc-tube/behavior.js +7 -7
- package/lib/commonjs/extensions/dnatco/ntc-tube/color.js +3 -3
- package/lib/commonjs/extensions/dnatco/ntc-tube/representation.d.ts +3 -0
- package/lib/commonjs/extensions/dnatco/ntc-tube/representation.js +3 -3
- package/lib/commonjs/extensions/g3d/data.js +2 -3
- package/lib/commonjs/extensions/g3d/format.d.ts +3 -3
- package/lib/commonjs/extensions/g3d/model.js +5 -5
- package/lib/commonjs/extensions/geo-export/mesh-exporter.d.ts +2 -2
- package/lib/commonjs/extensions/geo-export/ui.d.ts +0 -1
- package/lib/commonjs/extensions/geo-export/usdz-exporter.js +41 -41
- package/lib/commonjs/extensions/meshes/examples.js +9 -9
- package/lib/commonjs/extensions/meshes/mesh-extension.d.ts +3 -6
- package/lib/commonjs/extensions/meshes/mesh-extension.js +2 -2
- package/lib/commonjs/extensions/meshes/mesh-streaming/behavior.d.ts +3 -3
- package/lib/commonjs/extensions/meshes/mesh-streaming/server-info.d.ts +3 -3
- package/lib/commonjs/extensions/meshes/mesh-utils.js +9 -9
- package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.d.ts +1 -1
- package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.js +11 -8
- package/lib/commonjs/extensions/model-archive/quality-assessment/color/qmean.js +3 -3
- package/lib/commonjs/extensions/model-export/export.js +2 -2
- package/lib/commonjs/extensions/model-export/ui.d.ts +0 -1
- package/lib/commonjs/extensions/mp4-export/controls.d.ts +1 -1
- package/lib/commonjs/extensions/mp4-export/encoder.js +1 -2
- package/lib/commonjs/extensions/mp4-export/ui.d.ts +0 -1
- package/lib/commonjs/extensions/mvs/camera.js +4 -5
- package/lib/commonjs/extensions/mvs/components/annotation-color-theme.js +2 -2
- package/lib/commonjs/extensions/mvs/components/annotation-label/representation.d.ts +32 -32
- package/lib/commonjs/extensions/mvs/components/annotation-label/representation.js +2 -2
- package/lib/commonjs/extensions/mvs/components/annotation-label/visual.d.ts +16 -16
- package/lib/commonjs/extensions/mvs/components/annotation-label/visual.js +2 -2
- package/lib/commonjs/extensions/mvs/components/annotation-prop.js +2 -2
- package/lib/commonjs/extensions/mvs/components/annotation-structure-component.js +4 -4
- package/lib/commonjs/extensions/mvs/components/custom-label/representation.d.ts +32 -32
- package/lib/commonjs/extensions/mvs/components/custom-label/representation.js +2 -2
- package/lib/commonjs/extensions/mvs/components/custom-label/visual.d.ts +16 -16
- package/lib/commonjs/extensions/mvs/components/custom-label/visual.js +2 -2
- package/lib/commonjs/extensions/mvs/components/formats.d.ts +6 -6
- package/lib/commonjs/extensions/mvs/components/formats.js +2 -2
- package/lib/commonjs/extensions/mvs/components/is-mvs-model-prop.js +3 -3
- package/lib/commonjs/extensions/mvs/components/multilayer-color-theme.js +3 -3
- package/lib/commonjs/extensions/mvs/components/selector.js +3 -3
- package/lib/commonjs/extensions/mvs/helpers/indexing.d.ts +2 -2
- package/lib/commonjs/extensions/mvs/helpers/label-text.js +1 -2
- package/lib/commonjs/extensions/mvs/helpers/param-definition.js +2 -3
- package/lib/commonjs/extensions/mvs/helpers/schemas.d.ts +1 -1
- package/lib/commonjs/extensions/mvs/helpers/schemas.js +2 -2
- package/lib/commonjs/extensions/mvs/helpers/selections.js +6 -7
- package/lib/commonjs/extensions/mvs/helpers/utils.d.ts +1 -1
- package/lib/commonjs/extensions/mvs/helpers/utils.js +7 -7
- package/lib/commonjs/extensions/mvs/load-helpers.d.ts +1 -1
- package/lib/commonjs/extensions/mvs/load-helpers.js +17 -17
- package/lib/commonjs/extensions/mvs/load.js +1 -2
- package/lib/commonjs/extensions/mvs/tree/generic/params-schema.js +8 -8
- package/lib/commonjs/extensions/mvs/tree/generic/tree-schema.js +8 -9
- package/lib/commonjs/extensions/mvs/tree/generic/tree-utils.js +10 -11
- package/lib/commonjs/extensions/mvs/tree/molstar/conversion.js +4 -4
- package/lib/commonjs/extensions/mvs/tree/mvs/mvs-builder.d.ts +0 -8
- package/lib/commonjs/extensions/mvs/tree/mvs/mvs-builder.js +3 -3
- package/lib/commonjs/extensions/pdbe/structure-quality-report/color.js +2 -2
- package/lib/commonjs/extensions/rcsb/validation-report/color/density-fit.js +2 -2
- package/lib/commonjs/extensions/rcsb/validation-report/color/geometry-quality.js +3 -3
- package/lib/commonjs/extensions/rcsb/validation-report/color/random-coil-index.js +2 -2
- package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +5 -0
- package/lib/commonjs/extensions/rcsb/validation-report/representation.js +5 -5
- package/lib/commonjs/extensions/sb-ncbr/partial-charges/color.js +3 -3
- package/lib/commonjs/extensions/sb-ncbr/partial-charges/labels.js +1 -2
- package/lib/commonjs/extensions/sb-ncbr/partial-charges/property.js +2 -2
- package/lib/commonjs/extensions/sb-ncbr/tunnels/algorithm.js +2 -3
- package/lib/commonjs/extensions/sb-ncbr/tunnels/behavior.js +2 -2
- package/lib/commonjs/extensions/sb-ncbr/tunnels/data-model.d.ts +6 -6
- package/lib/commonjs/extensions/sb-ncbr/tunnels/examples.js +3 -3
- package/lib/commonjs/extensions/sb-ncbr/tunnels/props.js +2 -2
- package/lib/commonjs/extensions/volumes-and-segmentations/entry-root.d.ts +3 -3
- package/lib/commonjs/extensions/volumes-and-segmentations/entry-root.js +3 -3
- package/lib/commonjs/extensions/volumes-and-segmentations/entry-state.d.ts +3 -3
- package/lib/commonjs/extensions/volumes-and-segmentations/external-api.js +2 -3
- package/lib/commonjs/extensions/volumes-and-segmentations/global-state.d.ts +3 -3
- package/lib/commonjs/extensions/volumes-and-segmentations/helpers.js +6 -6
- package/lib/commonjs/extensions/volumes-and-segmentations/ui.d.ts +0 -1
- package/lib/commonjs/extensions/zenodo/ui.d.ts +0 -1
- package/lib/commonjs/mol-canvas3d/camera/transition.d.ts +1 -1
- package/lib/commonjs/mol-canvas3d/camera/transition.js +23 -6
- package/lib/commonjs/mol-canvas3d/camera/util.js +3 -4
- package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +9 -1
- package/lib/commonjs/mol-canvas3d/helper/bounding-sphere-helper.d.ts +1 -6
- package/lib/commonjs/mol-canvas3d/helper/camera-helper.js +2 -2
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.d.ts +1 -0
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.js +2 -2
- package/lib/commonjs/mol-canvas3d/helper/helper.d.ts +2 -0
- package/lib/commonjs/mol-canvas3d/passes/image.d.ts +2 -0
- package/lib/commonjs/mol-canvas3d/passes/multi-sample.d.ts +2 -1
- package/lib/commonjs/mol-canvas3d/passes/multi-sample.js +4 -3
- package/lib/commonjs/mol-canvas3d/passes/postprocessing.d.ts +1 -0
- package/lib/commonjs/mol-canvas3d/passes/postprocessing.js +7 -2
- package/lib/commonjs/mol-canvas3d/util.js +3 -4
- package/lib/commonjs/mol-data/db/column-helpers.js +6 -7
- package/lib/commonjs/mol-data/db/column.d.ts +1 -1
- package/lib/commonjs/mol-data/generic/hash-set.js +1 -2
- package/lib/commonjs/mol-data/generic/linked-list.js +1 -2
- package/lib/commonjs/mol-data/int/impl/interval.js +15 -15
- package/lib/commonjs/mol-data/int/impl/ordered-set.js +25 -25
- package/lib/commonjs/mol-data/int/impl/segmentation.js +7 -7
- package/lib/commonjs/mol-data/int/impl/sorted-array.js +31 -31
- package/lib/commonjs/mol-data/int/linked-index.js +1 -2
- package/lib/commonjs/mol-data/util/array.js +5 -6
- package/lib/commonjs/mol-data/util/buckets.js +1 -2
- package/lib/commonjs/mol-data/util/combination.js +2 -2
- package/lib/commonjs/mol-data/util/equivalence-classes.js +2 -2
- package/lib/commonjs/mol-data/util/grouping.js +2 -3
- package/lib/commonjs/mol-data/util/hash-functions.js +9 -10
- package/lib/commonjs/mol-data/util/sort.js +5 -6
- package/lib/commonjs/mol-geo/geometry/base.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/base.js +3 -3
- package/lib/commonjs/mol-geo/geometry/clipping-data.js +4 -5
- package/lib/commonjs/mol-geo/geometry/color-data.js +4 -5
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +1 -0
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.js +3 -0
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.d.ts +1 -0
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +3 -0
- package/lib/commonjs/mol-geo/geometry/direct-volume/transfer-function.js +3 -4
- package/lib/commonjs/mol-geo/geometry/emissive-data.js +5 -6
- package/lib/commonjs/mol-geo/geometry/image/image.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/marker-data.js +3 -4
- package/lib/commonjs/mol-geo/geometry/mesh/builder/axes.js +1 -2
- package/lib/commonjs/mol-geo/geometry/mesh/builder/box.js +2 -3
- package/lib/commonjs/mol-geo/geometry/mesh/builder/cylinder.js +4 -5
- package/lib/commonjs/mol-geo/geometry/mesh/builder/ellipsoid.js +1 -2
- package/lib/commonjs/mol-geo/geometry/mesh/builder/ribbon.js +1 -2
- package/lib/commonjs/mol-geo/geometry/mesh/builder/sheet.js +1 -2
- package/lib/commonjs/mol-geo/geometry/mesh/builder/sphere.js +2 -3
- package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.js +1 -2
- package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.js +7 -8
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.d.ts +1 -0
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +3 -0
- package/lib/commonjs/mol-geo/geometry/overpaint-data.js +4 -5
- package/lib/commonjs/mol-geo/geometry/points/points.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/size-data.js +9 -9
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +1 -0
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.js +3 -0
- package/lib/commonjs/mol-geo/geometry/substance-data.js +4 -5
- package/lib/commonjs/mol-geo/geometry/text/font-atlas.js +3 -3
- package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js +7 -7
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +1 -0
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +3 -0
- package/lib/commonjs/mol-geo/geometry/transform-data.js +4 -5
- package/lib/commonjs/mol-geo/geometry/transparency-data.js +5 -6
- package/lib/commonjs/mol-geo/primitive/box.js +3 -4
- package/lib/commonjs/mol-geo/primitive/cage.js +3 -4
- package/lib/commonjs/mol-geo/primitive/circle.js +2 -2
- package/lib/commonjs/mol-geo/primitive/cylinder.js +2 -2
- package/lib/commonjs/mol-geo/primitive/dodecahedron.js +3 -3
- package/lib/commonjs/mol-geo/primitive/icosahedron.js +2 -3
- package/lib/commonjs/mol-geo/primitive/octahedron.js +4 -4
- package/lib/commonjs/mol-geo/primitive/plane.js +2 -3
- package/lib/commonjs/mol-geo/primitive/polygon.js +1 -2
- package/lib/commonjs/mol-geo/primitive/polyhedron.js +2 -2
- package/lib/commonjs/mol-geo/primitive/primitive.js +4 -5
- package/lib/commonjs/mol-geo/primitive/prism.js +11 -11
- package/lib/commonjs/mol-geo/primitive/pyramid.js +6 -7
- package/lib/commonjs/mol-geo/primitive/sphere.js +2 -3
- package/lib/commonjs/mol-geo/primitive/spiked-ball.js +1 -2
- package/lib/commonjs/mol-geo/primitive/star.js +2 -2
- package/lib/commonjs/mol-geo/primitive/tetrahedron.js +3 -3
- package/lib/commonjs/mol-geo/primitive/torus.js +2 -2
- package/lib/commonjs/mol-geo/primitive/wedge.js +3 -4
- package/lib/commonjs/mol-geo/util/location-iterator.js +3 -4
- package/lib/commonjs/mol-geo/util/marching-cubes/algorithm.js +2 -3
- package/lib/commonjs/mol-geo/util/marching-cubes/builder.js +2 -3
- package/lib/commonjs/mol-geo/util/marching-cubes/tables.js +3 -3
- package/lib/commonjs/mol-geo/util.js +7 -8
- package/lib/commonjs/mol-gl/compute/grid3d.js +2 -3
- package/lib/commonjs/mol-gl/compute/hi-z.js +1 -2
- package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js +1 -2
- package/lib/commonjs/mol-gl/compute/histogram-pyramid/sum.js +1 -2
- package/lib/commonjs/mol-gl/compute/marching-cubes/active-voxels.js +1 -2
- package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.js +2 -3
- package/lib/commonjs/mol-gl/compute/marching-cubes/tables.js +2 -3
- package/lib/commonjs/mol-gl/compute/util.js +5 -5
- package/lib/commonjs/mol-gl/render-object.js +3 -3
- package/lib/commonjs/mol-gl/renderable/cylinders.d.ts +1 -0
- package/lib/commonjs/mol-gl/renderable/cylinders.js +3 -2
- package/lib/commonjs/mol-gl/renderable/direct-volume.d.ts +1 -0
- package/lib/commonjs/mol-gl/renderable/direct-volume.js +3 -2
- package/lib/commonjs/mol-gl/renderable/image.js +2 -2
- package/lib/commonjs/mol-gl/renderable/lines.js +2 -2
- package/lib/commonjs/mol-gl/renderable/mesh.d.ts +1 -0
- package/lib/commonjs/mol-gl/renderable/mesh.js +3 -2
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- package/lib/mol-gl/shader/spheres.frag.js +148 -148
- package/lib/mol-gl/shader/spheres.vert.js +132 -132
- package/lib/mol-gl/shader/ssao-blur.frag.d.ts +1 -1
- package/lib/mol-gl/shader/ssao-blur.frag.js +100 -97
- package/lib/mol-gl/shader/ssao.frag.js +211 -211
- package/lib/mol-gl/shader/text.frag.js +85 -85
- package/lib/mol-gl/shader/text.vert.js +85 -85
- package/lib/mol-gl/shader/util/grid3d-template.frag.js +46 -46
- package/lib/mol-gl/shader-code.js +16 -16
- package/lib/mol-gl/webgl/compat.js +12 -12
- package/lib/mol-gl/webgl/render-item.d.ts +2 -2
- package/lib/mol-io/common/simple-buffer.d.ts +0 -1
- package/lib/mol-io/reader/cif/schema/bird.d.ts +1 -1
- package/lib/mol-io/reader/cif/schema/bird.js +1 -1
- package/lib/mol-io/reader/cif/schema/ccd.d.ts +1 -1
- package/lib/mol-io/reader/cif/schema/ccd.js +1 -1
- package/lib/mol-io/reader/cif/schema/mmcif.d.ts +9 -1
- package/lib/mol-io/reader/cif/schema/mmcif.js +9 -1
- package/lib/mol-io/reader/common/text/column/fixed.d.ts +1 -1
- package/lib/mol-io/reader/common/text/column/token.d.ts +1 -1
- package/lib/mol-io/reader/ply/schema.d.ts +1 -1
- package/lib/mol-model/loci.d.ts +1 -1
- package/lib/mol-model/sequence/alignment/alignment.d.ts +2 -1
- package/lib/mol-model/structure/model/types/saccharides.js +1 -1
- package/lib/mol-model/structure/model/types.d.ts +3 -3
- package/lib/mol-model/structure/query/queries/generators.js +2 -2
- package/lib/mol-model/structure/structure/properties.d.ts +1 -0
- package/lib/mol-model/structure/structure/properties.js +1 -0
- package/lib/mol-model/volume/volume.d.ts +6 -6
- package/lib/mol-model-formats/shape/ply.d.ts +2 -0
- package/lib/mol-model-formats/structure/basic/schema.d.ts +1 -0
- package/lib/mol-model-formats/structure/common/entity.d.ts +1 -0
- package/lib/mol-model-props/computed/representations/interactions-inter-unit-cylinder.d.ts +1 -0
- package/lib/mol-model-props/computed/representations/interactions-intra-unit-cylinder.d.ts +1 -0
- package/lib/mol-model-props/computed/representations/interactions.d.ts +3 -0
- package/lib/mol-model-props/integrative/cross-link-restraint/representation.d.ts +4 -0
- package/lib/mol-model-props/sequence/themes/sifts-mapping.d.ts +2 -2
- package/lib/mol-plugin/behavior/behavior.d.ts +9 -9
- package/lib/mol-plugin/behavior/dynamic/volume-streaming/behavior.d.ts +3 -3
- package/lib/mol-plugin/behavior/dynamic/volume-streaming/model.d.ts +4 -4
- package/lib/mol-plugin/commands.d.ts +23 -87
- package/lib/mol-plugin/context.d.ts +3 -2
- package/lib/mol-plugin/context.js +4 -2
- package/lib/mol-plugin/state.d.ts +7 -7
- package/lib/mol-plugin/util/headless-screenshot.d.ts +1 -1
- package/lib/mol-plugin/util/headless-screenshot.js +3 -1
- package/lib/mol-plugin/util/viewport-screenshot.d.ts +1 -1
- package/lib/mol-plugin/util/viewport-screenshot.js +2 -1
- package/lib/mol-plugin/version.js +2 -2
- package/lib/mol-plugin-state/actions/volume.d.ts +1 -1
- package/lib/mol-plugin-state/actions/volume.js +4 -12
- package/lib/mol-plugin-state/animation/built-in/model-index.d.ts +2 -2
- package/lib/mol-plugin-state/formats/registry.d.ts +1 -1
- package/lib/mol-plugin-state/formats/trajectory.d.ts +9 -9
- package/lib/mol-plugin-state/formats/volume.d.ts +0 -1
- package/lib/mol-plugin-state/manager/structure/hierarchy.d.ts +3 -3
- package/lib/mol-plugin-state/manager/structure/measurement.d.ts +4 -0
- package/lib/mol-plugin-state/objects.d.ts +97 -97
- package/lib/mol-plugin-state/transforms/data.d.ts +10 -1
- package/lib/mol-plugin-state/transforms/data.js +30 -1
- package/lib/mol-plugin-state/transforms/representation.d.ts +6 -0
- package/lib/mol-plugin-ui/base.js +2 -1
- package/lib/mol-plugin-ui/controls/icons.d.ts +5 -0
- package/lib/mol-plugin-ui/controls/icons.js +10 -0
- package/lib/mol-plugin-ui/controls/parameters.d.ts +3 -3
- package/lib/mol-plugin-ui/controls.js +1 -1
- package/lib/mol-plugin-ui/left-panel.d.ts +0 -1
- package/lib/mol-plugin-ui/plugin.js +3 -2
- package/lib/mol-plugin-ui/skin/base/base.scss +37 -37
- package/lib/mol-plugin-ui/skin/base/components/controls-base.scss +333 -333
- package/lib/mol-plugin-ui/skin/base/components/controls.scss +451 -445
- package/lib/mol-plugin-ui/skin/base/components/help.scss +27 -27
- package/lib/mol-plugin-ui/skin/base/components/line-graph.scss +67 -67
- package/lib/mol-plugin-ui/skin/base/components/log.scss +100 -100
- package/lib/mol-plugin-ui/skin/base/components/misc.scss +663 -663
- package/lib/mol-plugin-ui/skin/base/components/sequence.scss +125 -125
- package/lib/mol-plugin-ui/skin/base/components/slider.scss +165 -165
- package/lib/mol-plugin-ui/skin/base/components/tasks.scss +99 -99
- package/lib/mol-plugin-ui/skin/base/components/toast.scss +83 -83
- package/lib/mol-plugin-ui/skin/base/components/transformer.scss +163 -163
- package/lib/mol-plugin-ui/skin/base/components/viewport.scss +194 -194
- package/lib/mol-plugin-ui/skin/base/layout/common.scss +71 -71
- package/lib/mol-plugin-ui/skin/base/layout/controls-landscape.scss +89 -89
- package/lib/mol-plugin-ui/skin/base/layout/controls-outside.scss +98 -98
- package/lib/mol-plugin-ui/skin/base/layout/controls-portrait.scss +108 -108
- package/lib/mol-plugin-ui/skin/base/layout.scss +40 -40
- package/lib/mol-plugin-ui/skin/base/logo.scss +12 -12
- package/lib/mol-plugin-ui/skin/base/normalize.scss +209 -209
- package/lib/mol-plugin-ui/skin/base/ui.scss +40 -40
- package/lib/mol-plugin-ui/skin/base/variables.scss +88 -88
- package/lib/mol-plugin-ui/skin/blue.scss +1 -1
- package/lib/mol-plugin-ui/skin/colors/blue.scss +23 -23
- package/lib/mol-plugin-ui/skin/colors/dark.scss +23 -23
- package/lib/mol-plugin-ui/skin/colors/light.scss +29 -29
- package/lib/mol-plugin-ui/skin/dark.scss +1 -1
- package/lib/mol-plugin-ui/skin/light.scss +1 -1
- package/lib/mol-plugin-ui/spec.d.ts +10 -10
- package/lib/mol-plugin-ui/spec.js +1 -1
- package/lib/mol-plugin-ui/state/apply-action.d.ts +1 -1
- package/lib/mol-plugin-ui/state/update-transform.d.ts +1 -1
- package/lib/mol-plugin-ui/structure/quick-styles.d.ts +2 -1
- package/lib/mol-plugin-ui/structure/quick-styles.js +5 -2
- package/lib/mol-plugin-ui/structure/selection.d.ts +2 -2
- package/lib/mol-repr/representation.d.ts +3 -3
- package/lib/mol-repr/shape/loci/angle.d.ts +1 -0
- package/lib/mol-repr/shape/loci/dihedral.d.ts +1 -0
- package/lib/mol-repr/shape/loci/orientation.d.ts +1 -0
- package/lib/mol-repr/shape/loci/plane.d.ts +1 -0
- package/lib/mol-repr/shape/model/unitcell.d.ts +1 -0
- package/lib/mol-repr/structure/complex-visual.d.ts +5 -0
- package/lib/mol-repr/structure/params.d.ts +5 -0
- package/lib/mol-repr/structure/registry.d.ts +11 -0
- package/lib/mol-repr/structure/representation/backbone.d.ts +3 -0
- package/lib/mol-repr/structure/representation/ball-and-stick.d.ts +3 -0
- package/lib/mol-repr/structure/representation/carbohydrate.d.ts +3 -0
- package/lib/mol-repr/structure/representation/cartoon.d.ts +3 -0
- package/lib/mol-repr/structure/representation/ellipsoid.d.ts +3 -0
- package/lib/mol-repr/structure/representation/gaussian-surface.d.ts +3 -0
- package/lib/mol-repr/structure/representation/gaussian-volume.d.ts +3 -0
- package/lib/mol-repr/structure/representation/molecular-surface.d.ts +3 -0
- package/lib/mol-repr/structure/representation/orientation.d.ts +3 -0
- package/lib/mol-repr/structure/representation/putty.d.ts +3 -0
- package/lib/mol-repr/structure/representation/spacefill.d.ts +3 -0
- package/lib/mol-repr/structure/units-visual.d.ts +5 -0
- package/lib/mol-repr/structure/visual/bond-inter-unit-cylinder.d.ts +2 -0
- package/lib/mol-repr/structure/visual/bond-intra-unit-cylinder.d.ts +2 -0
- package/lib/mol-repr/structure/visual/carbohydrate-link-cylinder.d.ts +1 -0
- package/lib/mol-repr/structure/visual/carbohydrate-symbol-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.d.ts +1 -0
- package/lib/mol-repr/structure/visual/element-sphere.d.ts +4 -0
- package/lib/mol-repr/structure/visual/ellipsoid-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/gaussian-density-volume.d.ts +2 -0
- package/lib/mol-repr/structure/visual/gaussian-surface-mesh.d.ts +4 -0
- package/lib/mol-repr/structure/visual/molecular-surface-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/nucleotide-atomic-bond.d.ts +2 -0
- package/lib/mol-repr/structure/visual/nucleotide-atomic-element.d.ts +2 -0
- package/lib/mol-repr/structure/visual/nucleotide-atomic-ring-fill.d.ts +1 -0
- package/lib/mol-repr/structure/visual/nucleotide-block-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/nucleotide-ring-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/orientation-ellipsoid-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/polymer-backbone-cylinder.d.ts +2 -0
- package/lib/mol-repr/structure/visual/polymer-backbone-sphere.d.ts +2 -0
- package/lib/mol-repr/structure/visual/polymer-direction-wedge.d.ts +1 -0
- package/lib/mol-repr/structure/visual/polymer-gap-cylinder.d.ts +1 -0
- package/lib/mol-repr/structure/visual/polymer-trace-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/polymer-tube-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/util/nucleotide.d.ts +60 -60
- package/lib/mol-repr/volume/direct-volume.d.ts +48 -45
- package/lib/mol-repr/volume/isosurface.d.ts +95 -90
- package/lib/mol-repr/volume/registry.d.ts +63 -60
- package/lib/mol-repr/volume/segment.d.ts +80 -75
- package/lib/mol-repr/volume/slice.d.ts +45 -45
- package/lib/mol-script/language/symbol-table/core.d.ts +1 -1
- package/lib/mol-state/object.d.ts +4 -4
- package/lib/mol-state/state.d.ts +4 -4
- package/lib/mol-state/transform.d.ts +1 -1
- package/lib/mol-state/transformer.d.ts +1 -1
- package/lib/mol-task/util/scheduler.d.ts +0 -1
- package/lib/mol-theme/color/atom-id.d.ts +2 -2
- package/lib/mol-theme/color/chain-id.d.ts +2 -2
- package/lib/mol-theme/color/element-index.d.ts +2 -2
- package/lib/mol-theme/color/entity-id.d.ts +2 -2
- package/lib/mol-theme/color/entity-source.d.ts +2 -2
- package/lib/mol-theme/color/external-volume.d.ts +2 -2
- package/lib/mol-theme/color/model-index.d.ts +2 -2
- package/lib/mol-theme/color/operator-hkl.d.ts +2 -2
- package/lib/mol-theme/color/operator-name.d.ts +2 -2
- package/lib/mol-theme/color/polymer-id.d.ts +2 -2
- package/lib/mol-theme/color/polymer-index.d.ts +2 -2
- package/lib/mol-theme/color/structure-index.d.ts +2 -2
- package/lib/mol-theme/color/trajectory-index.d.ts +2 -2
- package/lib/mol-theme/color/unit-index.d.ts +2 -2
- package/lib/mol-theme/color/volume-segment.d.ts +2 -2
- package/lib/mol-theme/color.d.ts +16 -16
- package/lib/mol-theme/theme.d.ts +3 -3
- package/lib/mol-util/color/palette.d.ts +4 -3
- package/lib/mol-util/color/scale.d.ts +2 -1
- package/lib/mol-util/data-source.d.ts +0 -1
- package/lib/mol-util/nodejs-shims.d.ts +1 -1
- package/lib/servers/common/swagger-ui/indexTemplate.js +66 -66
- package/lib/servers/model/config.d.ts +4 -4
- package/lib/servers/model/utils/tar.d.ts +0 -1
- package/lib/servers/volume/common/binary-schema.d.ts +0 -1
- package/lib/servers/volume/common/data-format.d.ts +0 -1
- package/lib/servers/volume/config.d.ts +1 -5
- package/lib/servers/volume/config.js +5 -5
- package/package.json +197 -196
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10
|
const param_definition_1 = require("../../../mol-util/param-definition");
|
|
10
11
|
const structure_1 = require("../../../mol-model/structure");
|
|
11
12
|
const mesh_1 = require("../../../mol-geo/geometry/mesh/mesh");
|
|
@@ -195,7 +196,6 @@ function InteractionsInterUnitVisual(materialId) {
|
|
|
195
196
|
}
|
|
196
197
|
}, materialId);
|
|
197
198
|
}
|
|
198
|
-
exports.InteractionsInterUnitVisual = InteractionsInterUnitVisual;
|
|
199
199
|
function getInteractionLoci(pickingId, structure, id) {
|
|
200
200
|
const { objectId, groupId } = pickingId;
|
|
201
201
|
if (id === objectId) {
|
package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.d.ts
CHANGED
|
@@ -28,6 +28,7 @@ export declare const InteractionsIntraUnitParams: {
|
|
|
28
28
|
flipSided: PD.BooleanParam;
|
|
29
29
|
flatShaded: PD.BooleanParam;
|
|
30
30
|
ignoreLight: PD.BooleanParam;
|
|
31
|
+
celShaded: PD.BooleanParam;
|
|
31
32
|
xrayShaded: PD.Select<boolean | "inverted">;
|
|
32
33
|
transparentBackfaces: PD.Select<"on" | "off" | "opaque">;
|
|
33
34
|
bumpFrequency: PD.Numeric;
|
package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js
CHANGED
|
@@ -5,7 +5,8 @@
|
|
|
5
5
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
6
6
|
*/
|
|
7
7
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
8
|
-
exports.
|
|
8
|
+
exports.InteractionsIntraUnitParams = void 0;
|
|
9
|
+
exports.InteractionsIntraUnitVisual = InteractionsIntraUnitVisual;
|
|
9
10
|
const structure_1 = require("../../../mol-model/structure");
|
|
10
11
|
const linear_algebra_1 = require("../../../mol-math/linear-algebra");
|
|
11
12
|
const loci_1 = require("../../../mol-model/loci");
|
|
@@ -168,7 +169,6 @@ function InteractionsIntraUnitVisual(materialId) {
|
|
|
168
169
|
}
|
|
169
170
|
}, materialId);
|
|
170
171
|
}
|
|
171
|
-
exports.InteractionsIntraUnitVisual = InteractionsIntraUnitVisual;
|
|
172
172
|
function getInteractionLoci(pickingId, structureGroup, id) {
|
|
173
173
|
const { objectId, instanceId, groupId } = pickingId;
|
|
174
174
|
if (id === objectId) {
|
|
@@ -32,6 +32,7 @@ export declare const InteractionsParams: {
|
|
|
32
32
|
flipSided: PD.BooleanParam;
|
|
33
33
|
flatShaded: PD.BooleanParam;
|
|
34
34
|
ignoreLight: PD.BooleanParam;
|
|
35
|
+
celShaded: PD.BooleanParam;
|
|
35
36
|
xrayShaded: PD.Select<boolean | "inverted">;
|
|
36
37
|
transparentBackfaces: PD.Select<"on" | "off" | "opaque">;
|
|
37
38
|
bumpFrequency: PD.Numeric;
|
|
@@ -84,6 +85,7 @@ export declare function getInteractionParams(ctx: ThemeRegistryContext, structur
|
|
|
84
85
|
flipSided: PD.BooleanParam;
|
|
85
86
|
flatShaded: PD.BooleanParam;
|
|
86
87
|
ignoreLight: PD.BooleanParam;
|
|
88
|
+
celShaded: PD.BooleanParam;
|
|
87
89
|
xrayShaded: PD.Select<boolean | "inverted">;
|
|
88
90
|
transparentBackfaces: PD.Select<"on" | "off" | "opaque">;
|
|
89
91
|
bumpFrequency: PD.Numeric;
|
|
@@ -137,6 +139,7 @@ export declare const InteractionsRepresentationProvider: StructureRepresentation
|
|
|
137
139
|
flipSided: PD.BooleanParam;
|
|
138
140
|
flatShaded: PD.BooleanParam;
|
|
139
141
|
ignoreLight: PD.BooleanParam;
|
|
142
|
+
celShaded: PD.BooleanParam;
|
|
140
143
|
xrayShaded: PD.Select<boolean | "inverted">;
|
|
141
144
|
transparentBackfaces: PD.Select<"on" | "off" | "opaque">;
|
|
142
145
|
bumpFrequency: PD.Numeric;
|
|
@@ -5,7 +5,9 @@
|
|
|
5
5
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
6
6
|
*/
|
|
7
7
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
8
|
-
exports.InteractionsRepresentationProvider = exports.
|
|
8
|
+
exports.InteractionsRepresentationProvider = exports.InteractionsParams = void 0;
|
|
9
|
+
exports.getInteractionParams = getInteractionParams;
|
|
10
|
+
exports.InteractionRepresentation = InteractionRepresentation;
|
|
9
11
|
const param_definition_1 = require("../../../mol-util/param-definition");
|
|
10
12
|
const representation_1 = require("../../../mol-repr/representation");
|
|
11
13
|
const representation_2 = require("../../../mol-repr/structure/representation");
|
|
@@ -27,11 +29,9 @@ exports.InteractionsParams = {
|
|
|
27
29
|
function getInteractionParams(ctx, structure) {
|
|
28
30
|
return param_definition_1.ParamDefinition.clone(exports.InteractionsParams);
|
|
29
31
|
}
|
|
30
|
-
exports.getInteractionParams = getInteractionParams;
|
|
31
32
|
function InteractionRepresentation(ctx, getParams) {
|
|
32
33
|
return representation_1.Representation.createMulti('Interactions', ctx, getParams, representation_2.StructureRepresentationStateBuilder, InteractionsVisuals);
|
|
33
34
|
}
|
|
34
|
-
exports.InteractionRepresentation = InteractionRepresentation;
|
|
35
35
|
exports.InteractionsRepresentationProvider = (0, representation_2.StructureRepresentationProvider)({
|
|
36
36
|
name: 'interactions',
|
|
37
37
|
label: 'Non-covalent Interactions',
|
|
@@ -6,7 +6,7 @@
|
|
|
6
6
|
* @author Sebastian Bittrich <sebastian.bittrich@rcsb.org>
|
|
7
7
|
*/
|
|
8
8
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
9
|
-
exports.calcUnitBackboneHbonds =
|
|
9
|
+
exports.calcUnitBackboneHbonds = calcUnitBackboneHbonds;
|
|
10
10
|
const graph_1 = require("../../../../mol-math/graph");
|
|
11
11
|
const linear_algebra_1 = require("../../../../mol-math/linear-algebra");
|
|
12
12
|
/** max distance between two C-alpha atoms to check for hbond */
|
|
@@ -112,7 +112,6 @@ function calcUnitBackboneHbonds(unit, proteinInfo, lookup3d) {
|
|
|
112
112
|
}
|
|
113
113
|
return buildHbondGraph(residueCount, oAtomResidues, nAtomResidues, energies);
|
|
114
114
|
}
|
|
115
|
-
exports.calcUnitBackboneHbonds = calcUnitBackboneHbonds;
|
|
116
115
|
function buildHbondGraph(residueCount, oAtomResidues, nAtomResidues, energies) {
|
|
117
116
|
const builder = new graph_1.IntAdjacencyGraph.DirectedEdgeBuilder(residueCount, oAtomResidues, nAtomResidues);
|
|
118
117
|
const _energies = new Float32Array(builder.slotCount);
|
|
@@ -6,7 +6,7 @@
|
|
|
6
6
|
* @author Sebastian Bittrich <sebastian.bittrich@rcsb.org>
|
|
7
7
|
*/
|
|
8
8
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
9
|
-
exports.assignBends =
|
|
9
|
+
exports.assignBends = assignBends;
|
|
10
10
|
const linear_algebra_1 = require("../../../../mol-math/linear-algebra");
|
|
11
11
|
const misc_1 = require("../../../../mol-math/misc");
|
|
12
12
|
/**
|
|
@@ -56,4 +56,3 @@ function assignBends(ctx) {
|
|
|
56
56
|
}
|
|
57
57
|
}
|
|
58
58
|
}
|
|
59
|
-
exports.assignBends = assignBends;
|
|
@@ -6,7 +6,7 @@
|
|
|
6
6
|
* @author Sebastian Bittrich <sebastian.bittrich@rcsb.org>
|
|
7
7
|
*/
|
|
8
8
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
9
|
-
exports.assignBridges =
|
|
9
|
+
exports.assignBridges = assignBridges;
|
|
10
10
|
const common_1 = require("./common");
|
|
11
11
|
/**
|
|
12
12
|
* Two nonoverlapping stretches of three residues each, i - 1, i, i + 1 and j - 1, j, j + 1,
|
|
@@ -70,4 +70,3 @@ function assignBridges(ctx) {
|
|
|
70
70
|
}
|
|
71
71
|
bridges.sort((a, b) => a.partner1 > b.partner1 ? 1 : a.partner1 < b.partner1 ? -1 : 0);
|
|
72
72
|
}
|
|
73
|
-
exports.assignBridges = assignBridges;
|
|
@@ -6,7 +6,7 @@
|
|
|
6
6
|
* @author Sebastian Bittrich <sebastian.bittrich@rcsb.org>
|
|
7
7
|
*/
|
|
8
8
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
9
|
-
exports.calculateUnitDihedralAngles =
|
|
9
|
+
exports.calculateUnitDihedralAngles = calculateUnitDihedralAngles;
|
|
10
10
|
const linear_algebra_1 = require("../../../../mol-math/linear-algebra");
|
|
11
11
|
const misc_1 = require("../../../../mol-math/misc");
|
|
12
12
|
function calculateUnitDihedralAngles(unit, proteinInfo) {
|
|
@@ -47,4 +47,3 @@ function calculateUnitDihedralAngles(unit, proteinInfo) {
|
|
|
47
47
|
}
|
|
48
48
|
return { phi, psi };
|
|
49
49
|
}
|
|
50
|
-
exports.calculateUnitDihedralAngles = calculateUnitDihedralAngles;
|
|
@@ -6,7 +6,7 @@
|
|
|
6
6
|
* @author Sebastian Bittrich <sebastian.bittrich@rcsb.org>
|
|
7
7
|
*/
|
|
8
8
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
9
|
-
exports.assignHelices =
|
|
9
|
+
exports.assignHelices = assignHelices;
|
|
10
10
|
const common_1 = require("./common");
|
|
11
11
|
/**
|
|
12
12
|
* A minimal helix is defined by two consecutive n-turns.
|
|
@@ -60,4 +60,3 @@ function assignHelices(ctx) {
|
|
|
60
60
|
}
|
|
61
61
|
}
|
|
62
62
|
}
|
|
63
|
-
exports.assignHelices = assignHelices;
|
|
@@ -6,7 +6,7 @@
|
|
|
6
6
|
* @author Sebastian Bittrich <sebastian.bittrich@rcsb.org>
|
|
7
7
|
*/
|
|
8
8
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
9
|
-
exports.assignLadders =
|
|
9
|
+
exports.assignLadders = assignLadders;
|
|
10
10
|
function shouldExtendLadder(ladder, bridge) {
|
|
11
11
|
// in order to extend ladders, same type must be present
|
|
12
12
|
if (bridge.type !== ladder.type)
|
|
@@ -95,4 +95,3 @@ function assignLadders(ctx) {
|
|
|
95
95
|
}
|
|
96
96
|
}
|
|
97
97
|
}
|
|
98
|
-
exports.assignLadders = assignLadders;
|
|
@@ -6,7 +6,7 @@
|
|
|
6
6
|
* @author Sebastian Bittrich <sebastian.bittrich@rcsb.org>
|
|
7
7
|
*/
|
|
8
8
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
9
|
-
exports.getUnitProteinInfo =
|
|
9
|
+
exports.getUnitProteinInfo = getUnitProteinInfo;
|
|
10
10
|
const int_1 = require("../../../../mol-data/int");
|
|
11
11
|
function getUnitProteinInfo(unit) {
|
|
12
12
|
const { index } = unit.model.atomicHierarchy;
|
|
@@ -33,4 +33,3 @@ function getUnitProteinInfo(unit) {
|
|
|
33
33
|
nIndices: n,
|
|
34
34
|
};
|
|
35
35
|
}
|
|
36
|
-
exports.getUnitProteinInfo = getUnitProteinInfo;
|
|
@@ -6,7 +6,7 @@
|
|
|
6
6
|
* @author Sebastian Bittrich <sebastian.bittrich@rcsb.org>
|
|
7
7
|
*/
|
|
8
8
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
9
|
-
exports.assignSheets =
|
|
9
|
+
exports.assignSheets = assignSheets;
|
|
10
10
|
const common_1 = require("./common");
|
|
11
11
|
function isHelixType(f) {
|
|
12
12
|
return common_1.DSSPType.is(f, 8 /* DSSPType.Flag.G */) || common_1.DSSPType.is(f, 1 /* DSSPType.Flag.H */) || common_1.DSSPType.is(f, 16 /* DSSPType.Flag.I */);
|
|
@@ -54,4 +54,3 @@ function assignSheets(ctx) {
|
|
|
54
54
|
}
|
|
55
55
|
}
|
|
56
56
|
}
|
|
57
|
-
exports.assignSheets = assignSheets;
|
|
@@ -5,7 +5,7 @@
|
|
|
5
5
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
6
6
|
*/
|
|
7
7
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
8
|
-
exports.calcUnitProteinTraceLookup3D =
|
|
8
|
+
exports.calcUnitProteinTraceLookup3D = calcUnitProteinTraceLookup3D;
|
|
9
9
|
const geometry_1 = require("../../../../mol-math/geometry");
|
|
10
10
|
const int_1 = require("../../../../mol-data/int");
|
|
11
11
|
const boundary_1 = require("../../../../mol-math/geometry/boundary");
|
|
@@ -19,4 +19,3 @@ function calcUnitProteinTraceLookup3D(unit, unitProteinResidues) {
|
|
|
19
19
|
const position = { x, y, z, indices: int_1.SortedArray.ofSortedArray(indices) };
|
|
20
20
|
return (0, geometry_1.GridLookup3D)(position, (0, boundary_1.getBoundary)(position));
|
|
21
21
|
}
|
|
22
|
-
exports.calcUnitProteinTraceLookup3D = calcUnitProteinTraceLookup3D;
|
|
@@ -6,7 +6,7 @@
|
|
|
6
6
|
* @author Sebastian Bittrich <sebastian.bittrich@rcsb.org>
|
|
7
7
|
*/
|
|
8
8
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
9
|
-
exports.assignTurns =
|
|
9
|
+
exports.assignTurns = assignTurns;
|
|
10
10
|
/**
|
|
11
11
|
* The basic turn pattern is a single H bond of type (i, i + n).
|
|
12
12
|
* We assign an n-turn at residue i if there is an H bond from CO(i) to NH(i + n),
|
|
@@ -36,4 +36,3 @@ function assignTurns(ctx) {
|
|
|
36
36
|
}
|
|
37
37
|
}
|
|
38
38
|
}
|
|
39
|
-
exports.assignTurns = assignTurns;
|
|
@@ -6,7 +6,8 @@
|
|
|
6
6
|
* @author Sebastian Bittrich <sebastian.bittrich@rcsb.org>
|
|
7
7
|
*/
|
|
8
8
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
9
|
-
exports.
|
|
9
|
+
exports.DSSPComputationParams = void 0;
|
|
10
|
+
exports.computeUnitDSSP = computeUnitDSSP;
|
|
10
11
|
const secondary_structure_1 = require("../../../mol-model/structure/model/properties/secondary-structure");
|
|
11
12
|
const types_1 = require("../../../mol-model/structure/model/types");
|
|
12
13
|
const param_definition_1 = require("../../../mol-util/param-definition");
|
|
@@ -82,7 +83,6 @@ async function computeUnitDSSP(unit, params) {
|
|
|
82
83
|
}
|
|
83
84
|
return (0, secondary_structure_1.SecondaryStructure)(type, keys, elements, getIndex);
|
|
84
85
|
}
|
|
85
|
-
exports.computeUnitDSSP = computeUnitDSSP;
|
|
86
86
|
function createElement(kind, flag, getResidueFlag) {
|
|
87
87
|
// TODO would be nice to add more detailed information
|
|
88
88
|
if (kind === 'helix') {
|
|
@@ -6,7 +6,9 @@
|
|
|
6
6
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
7
7
|
*/
|
|
8
8
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
9
|
-
exports.AccessibleSurfaceAreaColorThemeProvider = exports.
|
|
9
|
+
exports.AccessibleSurfaceAreaColorThemeProvider = exports.AccessibleSurfaceAreaColorThemeParams = void 0;
|
|
10
|
+
exports.getAccessibleSurfaceAreaColorThemeParams = getAccessibleSurfaceAreaColorThemeParams;
|
|
11
|
+
exports.AccessibleSurfaceAreaColorTheme = AccessibleSurfaceAreaColorTheme;
|
|
10
12
|
const param_definition_1 = require("../../../mol-util/param-definition");
|
|
11
13
|
const color_1 = require("../../../mol-util/color");
|
|
12
14
|
const color_2 = require("../../../mol-theme/color");
|
|
@@ -22,7 +24,6 @@ exports.AccessibleSurfaceAreaColorThemeParams = {
|
|
|
22
24
|
function getAccessibleSurfaceAreaColorThemeParams(ctx) {
|
|
23
25
|
return exports.AccessibleSurfaceAreaColorThemeParams; // TODO return copy
|
|
24
26
|
}
|
|
25
|
-
exports.getAccessibleSurfaceAreaColorThemeParams = getAccessibleSurfaceAreaColorThemeParams;
|
|
26
27
|
function AccessibleSurfaceAreaColorTheme(ctx, props) {
|
|
27
28
|
let color;
|
|
28
29
|
const scale = color_1.ColorScale.create({
|
|
@@ -66,7 +67,6 @@ function AccessibleSurfaceAreaColorTheme(ctx, props) {
|
|
|
66
67
|
legend: scale ? scale.legend : undefined
|
|
67
68
|
};
|
|
68
69
|
}
|
|
69
|
-
exports.AccessibleSurfaceAreaColorTheme = AccessibleSurfaceAreaColorTheme;
|
|
70
70
|
exports.AccessibleSurfaceAreaColorThemeProvider = {
|
|
71
71
|
name: 'accessible-surface-area',
|
|
72
72
|
label: 'Accessible Surface Area',
|
|
@@ -5,7 +5,9 @@
|
|
|
5
5
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
6
6
|
*/
|
|
7
7
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
8
|
-
exports.InteractionTypeColorThemeProvider = exports.
|
|
8
|
+
exports.InteractionTypeColorThemeProvider = exports.InteractionTypeColorThemeParams = void 0;
|
|
9
|
+
exports.getInteractionTypeColorThemeParams = getInteractionTypeColorThemeParams;
|
|
10
|
+
exports.InteractionTypeColorTheme = InteractionTypeColorTheme;
|
|
9
11
|
const color_1 = require("../../../mol-util/color");
|
|
10
12
|
const param_definition_1 = require("../../../mol-util/param-definition");
|
|
11
13
|
const interactions_1 = require("../interactions");
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@@ -62,7 +64,6 @@ exports.InteractionTypeColorThemeParams = {};
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function getInteractionTypeColorThemeParams(ctx) {
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return exports.InteractionTypeColorThemeParams; // TODO return copy
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}
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exports.getInteractionTypeColorThemeParams = getInteractionTypeColorThemeParams;
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function InteractionTypeColorTheme(ctx, props) {
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let color;
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const interactions = ctx.structure ? interactions_1.InteractionsProvider.get(ctx.structure) : undefined;
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@@ -98,7 +99,6 @@ function InteractionTypeColorTheme(ctx, props) {
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legend: (0, legend_1.TableLegend)(InteractionTypeColorTable)
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};
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}
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exports.InteractionTypeColorTheme = InteractionTypeColorTheme;
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exports.InteractionTypeColorThemeProvider = {
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name: 'interaction-type',
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label: 'Interaction Type',
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@@ -5,7 +5,9 @@
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* @author Alexander Rose <alexander.rose@weirdbyte.de>
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*/
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Object.defineProperty(exports, "__esModule", { value: true });
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exports.CrossLinkColorThemeProvider = exports.
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exports.CrossLinkColorThemeProvider = exports.CrossLinkColorThemeParams = void 0;
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exports.getCrossLinkColorThemeParams = getCrossLinkColorThemeParams;
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exports.CrossLinkColorTheme = CrossLinkColorTheme;
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const color_1 = require("../../../mol-util/color");
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const param_definition_1 = require("../../../mol-util/param-definition");
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const color_2 = require("../../../mol-theme/color");
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@@ -19,7 +21,6 @@ exports.CrossLinkColorThemeParams = {
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function getCrossLinkColorThemeParams(ctx) {
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return exports.CrossLinkColorThemeParams; // TODO return copy
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}
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exports.getCrossLinkColorThemeParams = getCrossLinkColorThemeParams;
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function CrossLinkColorTheme(ctx, props) {
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let color;
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let scale = undefined;
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@@ -52,7 +53,6 @@ function CrossLinkColorTheme(ctx, props) {
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legend: scale ? scale.legend : undefined
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};
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}
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exports.CrossLinkColorTheme = CrossLinkColorTheme;
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exports.CrossLinkColorThemeProvider = {
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name: 'cross-link',
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label: 'Cross Link',
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@@ -30,6 +30,7 @@ export declare const CrossLinkRestraintCylinderParams: {
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flipSided: PD.BooleanParam;
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flatShaded: PD.BooleanParam;
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ignoreLight: PD.BooleanParam;
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celShaded: PD.BooleanParam;
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xrayShaded: PD.Select<boolean | "inverted">;
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transparentBackfaces: PD.Select<"on" | "off" | "opaque">;
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bumpFrequency: PD.Numeric;
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@@ -79,6 +80,7 @@ export declare const CrossLinkRestraintParams: {
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flipSided: PD.BooleanParam;
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flatShaded: PD.BooleanParam;
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ignoreLight: PD.BooleanParam;
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celShaded: PD.BooleanParam;
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xrayShaded: PD.Select<boolean | "inverted">;
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transparentBackfaces: PD.Select<"on" | "off" | "opaque">;
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bumpFrequency: PD.Numeric;
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@@ -127,6 +129,7 @@ export declare function getCrossLinkRestraintParams(ctx: ThemeRegistryContext, s
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flipSided: PD.BooleanParam;
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flatShaded: PD.BooleanParam;
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ignoreLight: PD.BooleanParam;
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celShaded: PD.BooleanParam;
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xrayShaded: PD.Select<boolean | "inverted">;
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transparentBackfaces: PD.Select<"on" | "off" | "opaque">;
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bumpFrequency: PD.Numeric;
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@@ -176,6 +179,7 @@ export declare const CrossLinkRestraintRepresentationProvider: StructureRepresen
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flipSided: PD.BooleanParam;
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flatShaded: PD.BooleanParam;
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ignoreLight: PD.BooleanParam;
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celShaded: PD.BooleanParam;
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xrayShaded: PD.Select<boolean | "inverted">;
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transparentBackfaces: PD.Select<"on" | "off" | "opaque">;
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bumpFrequency: PD.Numeric;
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@@ -5,7 +5,10 @@
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5
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* @author Alexander Rose <alexander.rose@weirdbyte.de>
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*/
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Object.defineProperty(exports, "__esModule", { value: true });
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exports.CrossLinkRestraintRepresentationProvider = exports.
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8
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+
exports.CrossLinkRestraintRepresentationProvider = exports.CrossLinkRestraintParams = exports.CrossLinkRestraintCylinderParams = void 0;
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exports.CrossLinkRestraintVisual = CrossLinkRestraintVisual;
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exports.getCrossLinkRestraintParams = getCrossLinkRestraintParams;
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exports.CrossLinkRestraintRepresentation = CrossLinkRestraintRepresentation;
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const representation_1 = require("../../../mol-repr/representation");
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const mesh_1 = require("../../../mol-geo/geometry/mesh/mesh");
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const location_iterator_1 = require("../../../mol-geo/util/location-iterator");
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@@ -68,7 +71,6 @@ function CrossLinkRestraintVisual(materialId) {
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}
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}, materialId);
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}
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exports.CrossLinkRestraintVisual = CrossLinkRestraintVisual;
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function createCrossLinkRestraintIterator(structure) {
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const crossLinkRestraints = property_1.CrossLinkRestraintProvider.get(structure).value;
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const { pairs } = crossLinkRestraints;
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@@ -117,11 +119,9 @@ exports.CrossLinkRestraintParams = {
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function getCrossLinkRestraintParams(ctx, structure) {
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return param_definition_1.ParamDefinition.clone(exports.CrossLinkRestraintParams);
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}
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exports.getCrossLinkRestraintParams = getCrossLinkRestraintParams;
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function CrossLinkRestraintRepresentation(ctx, getParams) {
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return representation_1.Representation.createMulti('CrossLinkRestraint', ctx, getParams, representation_2.StructureRepresentationStateBuilder, CrossLinkRestraintVisuals);
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}
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-
exports.CrossLinkRestraintRepresentation = CrossLinkRestraintRepresentation;
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exports.CrossLinkRestraintRepresentationProvider = (0, representation_2.StructureRepresentationProvider)({
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name: property_1.CrossLinkRestraint.Tag.CrossLinkRestraint,
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label: 'Cross Link Restraint',
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@@ -18,7 +18,7 @@ export declare const SIFTSMappingColorThemeParams: {
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sampleCountFactor: number;
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}>, "generate"> | PD.NamedParams<PD.Normalize<{
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list: {
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-
kind: "
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+
kind: "interpolate" | "set";
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colors: import("../../../mol-util/color/color").ColorListEntry[];
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};
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}>, "colors">>;
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@@ -36,7 +36,7 @@ export declare function getSIFTSMappingColorThemeParams(ctx: ThemeDataContext):
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sampleCountFactor: number;
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}>, "generate"> | PD.NamedParams<PD.Normalize<{
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list: {
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-
kind: "
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+
kind: "interpolate" | "set";
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colors: import("../../../mol-util/color/color").ColorListEntry[];
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};
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}>, "colors">>;
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@@ -5,7 +5,9 @@
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5
5
|
* @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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Object.defineProperty(exports, "__esModule", { value: true });
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8
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-
exports.SIFTSMappingColorThemeProvider = exports.
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8
|
+
exports.SIFTSMappingColorThemeProvider = exports.SIFTSMappingColorThemeParams = void 0;
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9
|
+
exports.getSIFTSMappingColorThemeParams = getSIFTSMappingColorThemeParams;
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|
+
exports.SIFTSMappingColorTheme = SIFTSMappingColorTheme;
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const structure_1 = require("../../../mol-model/structure");
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const color_1 = require("../../../mol-theme/color");
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const color_2 = require("../../../mol-util/color");
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@@ -22,7 +24,6 @@ exports.SIFTSMappingColorThemeParams = {
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function getSIFTSMappingColorThemeParams(ctx) {
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|
return exports.SIFTSMappingColorThemeParams; // TODO return copy
|
|
24
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|
}
|
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25
|
-
exports.getSIFTSMappingColorThemeParams = getSIFTSMappingColorThemeParams;
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function SIFTSMappingColorTheme(ctx, props) {
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let color;
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29
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if (ctx.structure) {
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@@ -73,7 +74,6 @@ function SIFTSMappingColorTheme(ctx, props) {
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73
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description: Description,
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|
};
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}
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-
exports.SIFTSMappingColorTheme = SIFTSMappingColorTheme;
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exports.SIFTSMappingColorThemeProvider = {
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name: 'sifts-mapping',
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79
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label: 'SIFTS Mapping',
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@@ -22,48 +22,48 @@ declare namespace PluginBehavior {
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const Root_base: {
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new (data: {}, props?: {
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label: string;
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-
description?: string
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+
description?: string;
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|
} | undefined): {
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id: import("../../mol-util").UUID;
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|
type: PluginStateObject.TypeInfo;
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label: string;
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|
-
description?: string
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+
description?: string;
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data: {};
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32
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|
};
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|
type: PluginStateObject.TypeInfo;
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|
-
is(obj?: import("../../mol-state").StateObject
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|
+
is(obj?: import("../../mol-state").StateObject): obj is import("../../mol-state").StateObject<{}, PluginStateObject.TypeInfo>;
|
|
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|
};
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36
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|
export class Root extends Root_base {
|
|
37
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|
}
|
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38
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|
const Category_base: {
|
|
39
39
|
new (data: {}, props?: {
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|
40
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|
label: string;
|
|
41
|
-
description?: string
|
|
41
|
+
description?: string;
|
|
42
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|
} | undefined): {
|
|
43
43
|
id: import("../../mol-util").UUID;
|
|
44
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|
type: PluginStateObject.TypeInfo;
|
|
45
45
|
label: string;
|
|
46
|
-
description?: string
|
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|
+
description?: string;
|
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47
47
|
data: {};
|
|
48
48
|
};
|
|
49
49
|
type: PluginStateObject.TypeInfo;
|
|
50
|
-
is(obj?: import("../../mol-state").StateObject
|
|
50
|
+
is(obj?: import("../../mol-state").StateObject): obj is import("../../mol-state").StateObject<{}, PluginStateObject.TypeInfo>;
|
|
51
51
|
};
|
|
52
52
|
export class Category extends Category_base {
|
|
53
53
|
}
|
|
54
54
|
const Behavior_base: {
|
|
55
55
|
new (data: PluginBehavior<unknown>, props?: {
|
|
56
56
|
label: string;
|
|
57
|
-
description?: string
|
|
57
|
+
description?: string;
|
|
58
58
|
} | undefined): {
|
|
59
59
|
id: import("../../mol-util").UUID;
|
|
60
60
|
type: PluginStateObject.TypeInfo;
|
|
61
61
|
label: string;
|
|
62
|
-
description?: string
|
|
62
|
+
description?: string;
|
|
63
63
|
data: PluginBehavior<unknown>;
|
|
64
64
|
};
|
|
65
65
|
type: PluginStateObject.TypeInfo;
|
|
66
|
-
is(obj?: import("../../mol-state").StateObject
|
|
66
|
+
is(obj?: import("../../mol-state").StateObject): obj is import("../../mol-state").StateObject<PluginBehavior<unknown>, PluginStateObject.TypeInfo>;
|
|
67
67
|
};
|
|
68
68
|
export class Behavior extends Behavior_base {
|
|
69
69
|
}
|