molstar 3.2.0 → 3.4.0
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 -194
- package/build/viewer/embedded.html +43 -43
- package/build/viewer/index.html +106 -106
- package/build/viewer/molstar.css +1 -1
- package/build/viewer/molstar.js +1 -1
- package/lib/apps/docking-viewer/index.html +36 -36
- package/lib/apps/docking-viewer/index.js +0 -1
- package/lib/apps/docking-viewer/viewport.js +6 -6
- package/lib/apps/viewer/app.d.ts +7 -6
- package/lib/apps/viewer/app.js +2 -1
- package/lib/apps/viewer/embedded.html +43 -43
- package/lib/apps/viewer/index.html +106 -106
- package/lib/apps/viewer/index.js +0 -1
- package/lib/cli/chem-comp-dict/create-ions.js +0 -1
- package/lib/cli/chem-comp-dict/create-saccharides.d.ts +7 -0
- package/lib/cli/chem-comp-dict/create-saccharides.js +67 -0
- package/lib/cli/chem-comp-dict/create-table.js +0 -1
- package/lib/cli/chem-comp-dict/util.js +0 -1
- package/lib/cli/cif2bcif/converter.js +0 -1
- package/lib/cli/cif2bcif/index.js +0 -1
- package/lib/cli/cifschema/index.js +0 -1
- package/lib/cli/cifschema/util/cif-dic.js +0 -1
- package/lib/cli/cifschema/util/generate.js +0 -1
- package/lib/cli/cifschema/util/helper.js +0 -1
- package/lib/cli/cifschema/util/schema.js +0 -1
- package/lib/cli/lipid-params/index.js +0 -1
- package/lib/cli/state-docs/index.js +0 -1
- package/lib/cli/state-docs/pd-to-md.js +0 -1
- package/lib/cli/structure-info/helpers.js +0 -1
- package/lib/cli/structure-info/model.js +0 -1
- package/lib/cli/structure-info/volume.js +0 -1
- package/lib/commonjs/apps/docking-viewer/index.js +12 -13
- package/lib/commonjs/apps/docking-viewer/viewport.js +38 -38
- package/lib/commonjs/apps/viewer/app.d.ts +7 -6
- package/lib/commonjs/apps/viewer/app.js +24 -23
- package/lib/commonjs/apps/viewer/index.js +1 -2
- package/lib/commonjs/cli/chem-comp-dict/create-ions.js +6 -7
- package/lib/commonjs/cli/chem-comp-dict/create-saccharides.d.ts +7 -0
- package/lib/commonjs/cli/chem-comp-dict/create-saccharides.js +69 -0
- package/lib/commonjs/cli/chem-comp-dict/create-table.js +8 -9
- package/lib/commonjs/cli/chem-comp-dict/util.js +17 -18
- package/lib/commonjs/cli/cif2bcif/converter.js +9 -10
- package/lib/commonjs/cli/cif2bcif/index.js +8 -9
- package/lib/commonjs/cli/cifschema/index.js +27 -28
- package/lib/commonjs/cli/cifschema/util/cif-dic.js +1 -2
- package/lib/commonjs/cli/cifschema/util/generate.js +0 -1
- package/lib/commonjs/cli/cifschema/util/helper.js +0 -1
- package/lib/commonjs/cli/cifschema/util/schema.js +0 -1
- package/lib/commonjs/cli/lipid-params/index.js +9 -10
- package/lib/commonjs/cli/state-docs/index.js +2 -3
- package/lib/commonjs/cli/state-docs/pd-to-md.js +0 -1
- package/lib/commonjs/cli/structure-info/helpers.js +11 -12
- package/lib/commonjs/cli/structure-info/model.js +15 -16
- package/lib/commonjs/cli/structure-info/volume.js +9 -10
- package/lib/commonjs/examples/alpha-orbitals/controls.js +3 -4
- package/lib/commonjs/examples/alpha-orbitals/example-data.js +0 -1
- package/lib/commonjs/examples/alpha-orbitals/index.js +11 -12
- package/lib/commonjs/examples/basic-wrapper/coloring.js +0 -1
- package/lib/commonjs/examples/basic-wrapper/controls.js +2 -3
- package/lib/commonjs/examples/basic-wrapper/custom-theme.js +0 -1
- package/lib/commonjs/examples/basic-wrapper/index.js +22 -23
- package/lib/commonjs/examples/basic-wrapper/superposition.js +8 -9
- package/lib/commonjs/examples/domain-annotation-server/mapping.js +3 -4
- package/lib/commonjs/examples/domain-annotation-server/schemas.js +0 -1
- package/lib/commonjs/examples/domain-annotation-server/server.js +6 -7
- package/lib/commonjs/examples/domain-annotation-server/test.js +3 -4
- package/lib/commonjs/examples/lighting/index.js +8 -9
- package/lib/commonjs/examples/proteopedia-wrapper/annotation.js +2 -3
- package/lib/commonjs/examples/proteopedia-wrapper/coloring.js +0 -1
- package/lib/commonjs/examples/proteopedia-wrapper/helpers.js +4 -5
- package/lib/commonjs/examples/proteopedia-wrapper/index.js +26 -27
- package/lib/commonjs/examples/proteopedia-wrapper/ui/controls.js +2 -3
- package/lib/commonjs/examples/task.js +15 -16
- package/lib/commonjs/extensions/alpha-orbitals/collocation.js +2 -3
- package/lib/commonjs/extensions/alpha-orbitals/data-model.js +1 -2
- 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 +0 -1
- package/lib/commonjs/extensions/alpha-orbitals/orbitals.js +2 -3
- package/lib/commonjs/extensions/alpha-orbitals/spherical-functions.js +0 -1
- package/lib/commonjs/extensions/alpha-orbitals/transforms.js +13 -14
- package/lib/commonjs/extensions/anvil/algorithm.js +13 -14
- package/lib/commonjs/extensions/anvil/behavior.js +14 -15
- package/lib/commonjs/extensions/anvil/prop.js +7 -8
- package/lib/commonjs/extensions/anvil/representation.js +5 -6
- package/lib/commonjs/extensions/cellpack/color/generate.js +0 -1
- package/lib/commonjs/extensions/cellpack/color/provided.js +0 -1
- package/lib/commonjs/extensions/cellpack/curve.js +0 -1
- package/lib/commonjs/extensions/cellpack/data.js +0 -1
- package/lib/commonjs/extensions/cellpack/index.js +1 -2
- package/lib/commonjs/extensions/cellpack/model.js +26 -25
- package/lib/commonjs/extensions/cellpack/preset.js +6 -7
- package/lib/commonjs/extensions/cellpack/property.js +3 -4
- package/lib/commonjs/extensions/cellpack/representation.js +2 -3
- package/lib/commonjs/extensions/cellpack/state.js +13 -14
- package/lib/commonjs/extensions/cellpack/util.js +14 -15
- package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.js +7 -8
- package/lib/commonjs/extensions/dnatco/confal-pyramids/color.js +0 -1
- package/lib/commonjs/extensions/dnatco/confal-pyramids/property.js +5 -6
- package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.js +2 -3
- package/lib/commonjs/extensions/dnatco/confal-pyramids/types.js +0 -1
- package/lib/commonjs/extensions/dnatco/confal-pyramids/util.js +1 -2
- package/lib/commonjs/extensions/dnatco/index.js +0 -1
- package/lib/commonjs/extensions/g3d/data.js +6 -7
- package/lib/commonjs/extensions/g3d/format.js +14 -15
- package/lib/commonjs/extensions/g3d/model.js +4 -5
- package/lib/commonjs/extensions/geo-export/controls.js +3 -4
- package/lib/commonjs/extensions/geo-export/glb-exporter.js +9 -10
- package/lib/commonjs/extensions/geo-export/index.js +1 -2
- package/lib/commonjs/extensions/geo-export/mesh-exporter.js +12 -13
- package/lib/commonjs/extensions/geo-export/obj-exporter.js +7 -8
- package/lib/commonjs/extensions/geo-export/render-object-exporter.js +0 -1
- package/lib/commonjs/extensions/geo-export/stl-exporter.js +7 -8
- package/lib/commonjs/extensions/geo-export/ui.js +7 -8
- package/lib/commonjs/extensions/geo-export/usdz-exporter.js +9 -10
- package/lib/commonjs/extensions/model-archive/quality-assessment/behavior.js +9 -10
- package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.js +4 -5
- package/lib/commonjs/extensions/model-archive/quality-assessment/color/qmean.js +4 -5
- package/lib/commonjs/extensions/model-archive/quality-assessment/prop.js +5 -6
- package/lib/commonjs/extensions/model-export/export.js +4 -5
- package/lib/commonjs/extensions/model-export/index.js +1 -2
- package/lib/commonjs/extensions/model-export/ui.js +5 -6
- package/lib/commonjs/extensions/mp4-export/controls.js +5 -6
- package/lib/commonjs/extensions/mp4-export/encoder.js +4 -5
- package/lib/commonjs/extensions/mp4-export/index.js +1 -2
- package/lib/commonjs/extensions/mp4-export/ui.js +5 -6
- package/lib/commonjs/extensions/pdbe/index.js +0 -1
- package/lib/commonjs/extensions/pdbe/preferred-assembly.js +2 -3
- package/lib/commonjs/extensions/pdbe/struct-ref-domain.js +2 -3
- package/lib/commonjs/extensions/pdbe/structure-quality-report/behavior.js +1 -2
- package/lib/commonjs/extensions/pdbe/structure-quality-report/color.js +0 -1
- package/lib/commonjs/extensions/pdbe/structure-quality-report/prop.js +8 -9
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.js +17 -18
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js +2 -3
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/prop.js +9 -10
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.js +6 -7
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/ui.js +9 -10
- package/lib/commonjs/extensions/rcsb/graphql/symmetry.gql.js +0 -1
- package/lib/commonjs/extensions/rcsb/graphql/types.d.ts +158 -1
- package/lib/commonjs/extensions/rcsb/graphql/types.js +0 -1
- package/lib/commonjs/extensions/rcsb/index.js +0 -1
- package/lib/commonjs/extensions/rcsb/validation-report/behavior.js +17 -18
- package/lib/commonjs/extensions/rcsb/validation-report/color/density-fit.js +0 -1
- package/lib/commonjs/extensions/rcsb/validation-report/color/geometry-quality.js +0 -1
- package/lib/commonjs/extensions/rcsb/validation-report/color/random-coil-index.js +0 -1
- package/lib/commonjs/extensions/rcsb/validation-report/prop.js +15 -16
- package/lib/commonjs/extensions/rcsb/validation-report/representation.js +22 -6
- package/lib/commonjs/extensions/zenodo/index.d.ts +7 -0
- package/lib/commonjs/extensions/zenodo/index.js +35 -0
- package/lib/commonjs/extensions/zenodo/ui.d.ts +61 -0
- package/lib/commonjs/extensions/zenodo/ui.js +306 -0
- package/lib/commonjs/mol-canvas3d/camera/stereo.js +1 -2
- package/lib/commonjs/mol-canvas3d/camera/transition.js +0 -1
- package/lib/commonjs/mol-canvas3d/camera/util.js +1 -2
- package/lib/commonjs/mol-canvas3d/camera.js +2 -2
- package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +3 -1
- package/lib/commonjs/mol-canvas3d/canvas3d.js +46 -39
- package/lib/commonjs/mol-canvas3d/controls/object.js +0 -1
- package/lib/commonjs/mol-canvas3d/controls/trackball.js +1 -2
- package/lib/commonjs/mol-canvas3d/helper/bounding-sphere-helper.js +1 -2
- package/lib/commonjs/mol-canvas3d/helper/camera-helper.js +5 -6
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.js +5 -6
- package/lib/commonjs/mol-canvas3d/helper/helper.js +1 -2
- package/lib/commonjs/mol-canvas3d/helper/interaction-events.js +2 -3
- package/lib/commonjs/mol-canvas3d/passes/draw.js +15 -13
- package/lib/commonjs/mol-canvas3d/passes/fxaa.js +3 -4
- package/lib/commonjs/mol-canvas3d/passes/image.d.ts +1 -0
- package/lib/commonjs/mol-canvas3d/passes/image.js +1 -2
- package/lib/commonjs/mol-canvas3d/passes/marking.js +6 -7
- package/lib/commonjs/mol-canvas3d/passes/multi-sample.d.ts +1 -1
- package/lib/commonjs/mol-canvas3d/passes/multi-sample.js +23 -10
- package/lib/commonjs/mol-canvas3d/passes/passes.js +0 -1
- package/lib/commonjs/mol-canvas3d/passes/pick.js +0 -1
- package/lib/commonjs/mol-canvas3d/passes/postprocessing.d.ts +8 -1
- package/lib/commonjs/mol-canvas3d/passes/postprocessing.js +60 -31
- package/lib/commonjs/mol-canvas3d/passes/smaa.js +9 -10
- package/lib/commonjs/mol-canvas3d/passes/wboit.js +3 -4
- package/lib/commonjs/mol-canvas3d/util.js +2 -3
- package/lib/commonjs/mol-data/db/column-helpers.js +0 -1
- package/lib/commonjs/mol-data/db/column.js +2 -3
- package/lib/commonjs/mol-data/db/database.js +0 -1
- package/lib/commonjs/mol-data/db/table.js +1 -2
- package/lib/commonjs/mol-data/db.js +1 -2
- package/lib/commonjs/mol-data/generic/hash-set.js +0 -1
- package/lib/commonjs/mol-data/generic/linked-list.js +0 -1
- package/lib/commonjs/mol-data/generic/unique-array.js +0 -1
- package/lib/commonjs/mol-data/generic.js +3 -4
- package/lib/commonjs/mol-data/index.js +4 -5
- package/lib/commonjs/mol-data/int/impl/interval.js +0 -1
- package/lib/commonjs/mol-data/int/impl/ordered-set.js +0 -1
- package/lib/commonjs/mol-data/int/impl/segmentation.js +0 -1
- package/lib/commonjs/mol-data/int/impl/sorted-array.js +0 -1
- package/lib/commonjs/mol-data/int/interval.js +1 -2
- package/lib/commonjs/mol-data/int/linked-index.js +0 -1
- package/lib/commonjs/mol-data/int/map.js +0 -1
- package/lib/commonjs/mol-data/int/ordered-set.js +1 -2
- package/lib/commonjs/mol-data/int/segmentation.js +1 -2
- package/lib/commonjs/mol-data/int/sorted-array.js +1 -2
- package/lib/commonjs/mol-data/int/sorted-ranges.js +0 -1
- package/lib/commonjs/mol-data/int/tuple.js +0 -1
- package/lib/commonjs/mol-data/int.js +0 -1
- package/lib/commonjs/mol-data/iterator.js +0 -1
- package/lib/commonjs/mol-data/util/array.js +0 -1
- package/lib/commonjs/mol-data/util/buckets.js +0 -1
- package/lib/commonjs/mol-data/util/chunked-array.js +0 -1
- package/lib/commonjs/mol-data/util/combination.js +0 -1
- package/lib/commonjs/mol-data/util/equivalence-classes.js +0 -1
- package/lib/commonjs/mol-data/util/grouping.js +0 -1
- package/lib/commonjs/mol-data/util/hash-functions.js +0 -1
- package/lib/commonjs/mol-data/util/interval-iterator.js +0 -1
- package/lib/commonjs/mol-data/util/sort.js +0 -1
- package/lib/commonjs/mol-data/util.js +7 -8
- package/lib/commonjs/mol-geo/geometry/base.js +0 -1
- package/lib/commonjs/mol-geo/geometry/clipping-data.js +0 -1
- package/lib/commonjs/mol-geo/geometry/color-data.js +0 -1
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders-builder.js +0 -1
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +2 -2
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.js +3 -4
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +3 -4
- package/lib/commonjs/mol-geo/geometry/direct-volume/transfer-function.js +1 -2
- package/lib/commonjs/mol-geo/geometry/geometry.js +0 -1
- package/lib/commonjs/mol-geo/geometry/image/image.js +3 -4
- package/lib/commonjs/mol-geo/geometry/lines/lines-builder.js +0 -1
- package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +2 -1
- package/lib/commonjs/mol-geo/geometry/lines/lines.js +4 -5
- package/lib/commonjs/mol-geo/geometry/marker-data.js +0 -1
- package/lib/commonjs/mol-geo/geometry/mesh/builder/axes.js +0 -1
- package/lib/commonjs/mol-geo/geometry/mesh/builder/box.js +0 -1
- package/lib/commonjs/mol-geo/geometry/mesh/builder/cylinder.js +0 -1
- package/lib/commonjs/mol-geo/geometry/mesh/builder/ellipsoid.js +0 -1
- package/lib/commonjs/mol-geo/geometry/mesh/builder/ribbon.js +0 -1
- package/lib/commonjs/mol-geo/geometry/mesh/builder/sheet.js +0 -1
- package/lib/commonjs/mol-geo/geometry/mesh/builder/sphere.js +0 -1
- package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.js +0 -1
- package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.js +0 -1
- package/lib/commonjs/mol-geo/geometry/mesh/laplacian-smoothing.js +0 -1
- package/lib/commonjs/mol-geo/geometry/mesh/mesh-builder.js +0 -1
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +3 -4
- package/lib/commonjs/mol-geo/geometry/overpaint-data.js +0 -1
- package/lib/commonjs/mol-geo/geometry/picking.js +0 -1
- package/lib/commonjs/mol-geo/geometry/points/points-builder.js +0 -1
- package/lib/commonjs/mol-geo/geometry/points/points.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/points/points.js +3 -4
- package/lib/commonjs/mol-geo/geometry/size-data.js +1 -2
- package/lib/commonjs/mol-geo/geometry/spheres/spheres-builder.js +0 -1
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.js +3 -4
- package/lib/commonjs/mol-geo/geometry/substance-data.js +0 -1
- package/lib/commonjs/mol-geo/geometry/text/font-atlas.js +1 -2
- package/lib/commonjs/mol-geo/geometry/text/text-builder.js +3 -3
- package/lib/commonjs/mol-geo/geometry/text/text.js +3 -4
- package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js +4 -5
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +3 -4
- package/lib/commonjs/mol-geo/geometry/transform-data.js +0 -1
- package/lib/commonjs/mol-geo/geometry/transparency-data.js +0 -1
- package/lib/commonjs/mol-geo/primitive/box.js +0 -1
- package/lib/commonjs/mol-geo/primitive/cage.js +0 -1
- package/lib/commonjs/mol-geo/primitive/circle.js +1 -2
- package/lib/commonjs/mol-geo/primitive/cylinder.js +1 -2
- package/lib/commonjs/mol-geo/primitive/dodecahedron.js +0 -1
- package/lib/commonjs/mol-geo/primitive/icosahedron.js +0 -1
- package/lib/commonjs/mol-geo/primitive/octahedron.js +0 -1
- package/lib/commonjs/mol-geo/primitive/plane.js +0 -1
- package/lib/commonjs/mol-geo/primitive/polygon.js +0 -1
- package/lib/commonjs/mol-geo/primitive/polyhedron.js +1 -2
- package/lib/commonjs/mol-geo/primitive/primitive.js +0 -1
- package/lib/commonjs/mol-geo/primitive/prism.js +1 -2
- package/lib/commonjs/mol-geo/primitive/pyramid.js +0 -1
- package/lib/commonjs/mol-geo/primitive/sphere.js +0 -1
- package/lib/commonjs/mol-geo/primitive/spiked-ball.js +0 -1
- package/lib/commonjs/mol-geo/primitive/star.js +1 -2
- package/lib/commonjs/mol-geo/primitive/tetrahedron.js +0 -1
- package/lib/commonjs/mol-geo/primitive/torus.js +1 -2
- package/lib/commonjs/mol-geo/primitive/wedge.js +0 -1
- package/lib/commonjs/mol-geo/util/location-iterator.js +0 -1
- package/lib/commonjs/mol-geo/util/marching-cubes/algorithm.js +9 -10
- package/lib/commonjs/mol-geo/util/marching-cubes/builder.js +0 -1
- package/lib/commonjs/mol-geo/util/marching-cubes/tables.js +0 -1
- package/lib/commonjs/mol-geo/util.js +0 -1
- package/lib/commonjs/mol-gl/commit-queue.js +0 -1
- package/lib/commonjs/mol-gl/compute/grid3d.js +5 -6
- package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js +3 -4
- package/lib/commonjs/mol-gl/compute/histogram-pyramid/sum.js +3 -4
- package/lib/commonjs/mol-gl/compute/marching-cubes/active-voxels.js +3 -4
- package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.js +3 -4
- package/lib/commonjs/mol-gl/compute/marching-cubes/tables.js +0 -1
- package/lib/commonjs/mol-gl/compute/util.js +3 -4
- package/lib/commonjs/mol-gl/object3d.js +0 -1
- package/lib/commonjs/mol-gl/render-object.js +0 -1
- package/lib/commonjs/mol-gl/renderable/cylinders.js +3 -4
- package/lib/commonjs/mol-gl/renderable/direct-volume.js +3 -4
- package/lib/commonjs/mol-gl/renderable/image.js +3 -4
- package/lib/commonjs/mol-gl/renderable/lines.js +3 -4
- package/lib/commonjs/mol-gl/renderable/mesh.js +3 -4
- package/lib/commonjs/mol-gl/renderable/points.js +3 -4
- package/lib/commonjs/mol-gl/renderable/schema.js +1 -2
- package/lib/commonjs/mol-gl/renderable/spheres.js +3 -4
- package/lib/commonjs/mol-gl/renderable/text.js +3 -4
- package/lib/commonjs/mol-gl/renderable/texture-mesh.js +3 -4
- package/lib/commonjs/mol-gl/renderable/util.js +1 -2
- package/lib/commonjs/mol-gl/renderable.js +0 -1
- package/lib/commonjs/mol-gl/renderer.js +3 -5
- package/lib/commonjs/mol-gl/scene.d.ts +2 -1
- package/lib/commonjs/mol-gl/scene.js +14 -3
- package/lib/commonjs/mol-gl/shader/chunks/apply-fog.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/apply-interior-color.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/apply-light-color.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/apply-marker-color.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-clipping-varying.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-group.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-marker-varying.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-position.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-size.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/check-picking-alpha.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/clip-instance.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/clip-pixel.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/color-frag-params.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/common-clip.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/common-frag-params.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/common-vert-params.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/common.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/float-to-rgba.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/light-frag-params.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/matrix-scale.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/normal-frag-params.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/read-from-texture.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/rgba-to-float.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/size-vert-params.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/texture3d-from-1d-trilinear.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/texture3d-from-2d-linear.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/texture3d-from-2d-nearest.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/wboit-write.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/compose.frag.js +0 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.frag.js +0 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.vert.js +0 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/normalize.frag.js +0 -1
- package/lib/commonjs/mol-gl/shader/copy.frag.js +0 -1
- package/lib/commonjs/mol-gl/shader/cylinders.frag.js +0 -1
- package/lib/commonjs/mol-gl/shader/cylinders.vert.js +0 -1
- package/lib/commonjs/mol-gl/shader/depth-merge.frag.js +0 -1
- package/lib/commonjs/mol-gl/shader/direct-volume.frag.js +0 -1
- package/lib/commonjs/mol-gl/shader/direct-volume.vert.js +0 -1
- package/lib/commonjs/mol-gl/shader/evaluate-wboit.frag.js +0 -1
- package/lib/commonjs/mol-gl/shader/fxaa.frag.js +0 -1
- package/lib/commonjs/mol-gl/shader/gaussian-density.frag.js +0 -1
- package/lib/commonjs/mol-gl/shader/gaussian-density.vert.js +0 -1
- package/lib/commonjs/mol-gl/shader/histogram-pyramid/reduction.frag.js +0 -1
- package/lib/commonjs/mol-gl/shader/histogram-pyramid/sum.frag.js +0 -1
- package/lib/commonjs/mol-gl/shader/image.frag.js +0 -1
- package/lib/commonjs/mol-gl/shader/image.vert.js +0 -1
- package/lib/commonjs/mol-gl/shader/lines.frag.js +0 -1
- package/lib/commonjs/mol-gl/shader/lines.vert.js +0 -1
- package/lib/commonjs/mol-gl/shader/marching-cubes/active-voxels.frag.js +0 -1
- package/lib/commonjs/mol-gl/shader/marching-cubes/isosurface.frag.js +0 -1
- package/lib/commonjs/mol-gl/shader/marking/edge.frag.js +0 -1
- package/lib/commonjs/mol-gl/shader/marking/overlay.frag.js +0 -1
- package/lib/commonjs/mol-gl/shader/mesh.frag.js +0 -1
- package/lib/commonjs/mol-gl/shader/mesh.vert.js +0 -1
- package/lib/commonjs/mol-gl/shader/outlines.frag.js +0 -1
- package/lib/commonjs/mol-gl/shader/points.frag.js +0 -1
- package/lib/commonjs/mol-gl/shader/points.vert.js +0 -1
- package/lib/commonjs/mol-gl/shader/postprocessing.frag.d.ts +2 -2
- package/lib/commonjs/mol-gl/shader/postprocessing.frag.js +2 -3
- package/lib/commonjs/mol-gl/shader/quad.vert.js +0 -1
- package/lib/commonjs/mol-gl/shader/smaa/blend.frag.js +0 -1
- package/lib/commonjs/mol-gl/shader/smaa/blend.vert.js +0 -1
- package/lib/commonjs/mol-gl/shader/smaa/edges.frag.js +0 -1
- package/lib/commonjs/mol-gl/shader/smaa/edges.vert.js +0 -1
- package/lib/commonjs/mol-gl/shader/smaa/weights.frag.js +0 -1
- package/lib/commonjs/mol-gl/shader/smaa/weights.vert.js +0 -1
- package/lib/commonjs/mol-gl/shader/spheres.frag.js +0 -1
- package/lib/commonjs/mol-gl/shader/spheres.vert.js +0 -1
- package/lib/commonjs/mol-gl/shader/ssao-blur.frag.js +0 -1
- package/lib/commonjs/mol-gl/shader/ssao.frag.js +0 -1
- package/lib/commonjs/mol-gl/shader/text.frag.js +0 -1
- package/lib/commonjs/mol-gl/shader/text.vert.js +0 -1
- package/lib/commonjs/mol-gl/shader/util/grid3d-template.frag.js +0 -1
- package/lib/commonjs/mol-gl/shader-code.js +2 -2
- package/lib/commonjs/mol-gl/webgl/buffer.js +4 -6
- package/lib/commonjs/mol-gl/webgl/compat.js +0 -1
- package/lib/commonjs/mol-gl/webgl/context.js +3 -4
- package/lib/commonjs/mol-gl/webgl/extensions.js +0 -1
- package/lib/commonjs/mol-gl/webgl/framebuffer.js +0 -1
- package/lib/commonjs/mol-gl/webgl/program.js +0 -1
- package/lib/commonjs/mol-gl/webgl/render-item.js +1 -2
- package/lib/commonjs/mol-gl/webgl/render-target.js +0 -1
- package/lib/commonjs/mol-gl/webgl/renderbuffer.js +0 -1
- package/lib/commonjs/mol-gl/webgl/resources.js +2 -3
- package/lib/commonjs/mol-gl/webgl/shader.js +0 -1
- package/lib/commonjs/mol-gl/webgl/state.js +0 -1
- package/lib/commonjs/mol-gl/webgl/texture.d.ts +1 -1
- package/lib/commonjs/mol-gl/webgl/texture.js +9 -2
- package/lib/commonjs/mol-gl/webgl/uniform.js +0 -1
- package/lib/commonjs/mol-gl/webgl/vertex-array.js +0 -1
- package/lib/commonjs/mol-io/common/ascii.js +0 -1
- package/lib/commonjs/mol-io/common/binary-cif/array-encoder.js +0 -1
- package/lib/commonjs/mol-io/common/binary-cif/classifier.js +7 -7
- package/lib/commonjs/mol-io/common/binary-cif/decoder.js +4 -4
- package/lib/commonjs/mol-io/common/binary-cif/encoding.js +0 -1
- package/lib/commonjs/mol-io/common/binary-cif.js +3 -4
- package/lib/commonjs/mol-io/common/binary.js +0 -1
- package/lib/commonjs/mol-io/common/file-handle.js +0 -1
- package/lib/commonjs/mol-io/common/io-buffer.d.ts +206 -0
- package/lib/commonjs/mol-io/common/io-buffer.js +408 -0
- package/lib/commonjs/mol-io/common/msgpack/decode.js +0 -1
- package/lib/commonjs/mol-io/common/msgpack/encode.js +0 -1
- package/lib/commonjs/mol-io/common/netcdf/reader.d.ts +78 -0
- package/lib/commonjs/mol-io/common/netcdf/reader.js +459 -0
- package/lib/commonjs/mol-io/common/simple-buffer.js +0 -1
- package/lib/commonjs/mol-io/common/typed-array.js +2 -3
- package/lib/commonjs/mol-io/common/utf8.js +0 -1
- package/lib/commonjs/mol-io/reader/ccp4/parser.js +8 -9
- package/lib/commonjs/mol-io/reader/ccp4/schema.js +0 -1
- package/lib/commonjs/mol-io/reader/cif/binary/field.js +0 -1
- package/lib/commonjs/mol-io/reader/cif/binary/parser.js +3 -4
- package/lib/commonjs/mol-io/reader/cif/data-model.js +1 -2
- package/lib/commonjs/mol-io/reader/cif/schema/bird.d.ts +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/bird.js +1 -2
- package/lib/commonjs/mol-io/reader/cif/schema/ccd-extras.js +0 -1
- package/lib/commonjs/mol-io/reader/cif/schema/ccd.d.ts +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/ccd.js +1 -2
- package/lib/commonjs/mol-io/reader/cif/schema/cif-core.js +0 -1
- package/lib/commonjs/mol-io/reader/cif/schema/ddl.js +0 -1
- package/lib/commonjs/mol-io/reader/cif/schema/density-server.js +0 -1
- package/lib/commonjs/mol-io/reader/cif/schema/dic.js +0 -1
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif-extras.js +2 -3
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif.d.ts +6 -2
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif.js +5 -2
- package/lib/commonjs/mol-io/reader/cif/schema.js +2 -3
- package/lib/commonjs/mol-io/reader/cif/text/parser.js +7 -8
- package/lib/commonjs/mol-io/reader/cif.js +1 -2
- package/lib/commonjs/mol-io/reader/common/binary/column.js +0 -1
- package/lib/commonjs/mol-io/reader/common/text/column/fixed.js +0 -1
- package/lib/commonjs/mol-io/reader/common/text/column/token.js +0 -1
- package/lib/commonjs/mol-io/reader/common/text/number-parser.js +0 -1
- package/lib/commonjs/mol-io/reader/common/text/tokenizer.js +4 -5
- package/lib/commonjs/mol-io/reader/csv/data-model.js +1 -2
- package/lib/commonjs/mol-io/reader/csv/field.js +0 -1
- package/lib/commonjs/mol-io/reader/csv/parser.js +7 -8
- package/lib/commonjs/mol-io/reader/csv/schema.js +0 -1
- package/lib/commonjs/mol-io/reader/cube/parser.js +2 -3
- package/lib/commonjs/mol-io/reader/dcd/parser.js +2 -3
- package/lib/commonjs/mol-io/reader/dsn6/parser.js +8 -9
- package/lib/commonjs/mol-io/reader/dsn6/schema.js +0 -1
- package/lib/commonjs/mol-io/reader/dx/parser.js +4 -5
- package/lib/commonjs/mol-io/reader/gro/parser.js +6 -7
- package/lib/commonjs/mol-io/reader/mol/parser.js +2 -3
- package/lib/commonjs/mol-io/reader/mol2/parser.js +8 -9
- package/lib/commonjs/mol-io/reader/mol2/schema.js +0 -1
- package/lib/commonjs/mol-io/reader/nctraj/parser.d.ts +18 -0
- package/lib/commonjs/mol-io/reader/nctraj/parser.js +101 -0
- package/lib/commonjs/mol-io/reader/obj/parser.js +4 -5
- package/lib/commonjs/mol-io/reader/pdb/parser.js +2 -3
- package/lib/commonjs/mol-io/reader/pdb/schema.js +0 -1
- package/lib/commonjs/mol-io/reader/ply/parser.js +4 -5
- package/lib/commonjs/mol-io/reader/ply/schema.js +0 -1
- package/lib/commonjs/mol-io/reader/prmtop/parser.d.ts +58 -0
- package/lib/commonjs/mol-io/reader/prmtop/parser.js +172 -0
- package/lib/commonjs/mol-io/reader/psf/parser.js +8 -9
- package/lib/commonjs/mol-io/reader/result.js +0 -1
- package/lib/commonjs/mol-io/reader/sdf/parser-v3-util.js +0 -1
- package/lib/commonjs/mol-io/reader/sdf/parser.js +2 -3
- package/lib/commonjs/mol-io/reader/top/parser.d.ts +37 -0
- package/lib/commonjs/mol-io/reader/top/parser.js +303 -0
- package/lib/commonjs/mol-io/reader/trr/parser.d.ts +22 -0
- package/lib/commonjs/mol-io/reader/trr/parser.js +146 -0
- package/lib/commonjs/mol-io/reader/xtc/parser.js +4 -5
- package/lib/commonjs/mol-io/reader/xyz/parser.js +2 -3
- package/lib/commonjs/mol-io/utils/short-string-pool.js +0 -1
- package/lib/commonjs/mol-io/writer/cif/encoder/binary.js +0 -1
- package/lib/commonjs/mol-io/writer/cif/encoder/text.js +0 -1
- package/lib/commonjs/mol-io/writer/cif/encoder/util.js +0 -1
- package/lib/commonjs/mol-io/writer/cif/encoder.js +3 -3
- package/lib/commonjs/mol-io/writer/cif.js +1 -2
- package/lib/commonjs/mol-io/writer/encoder.js +0 -1
- package/lib/commonjs/mol-io/writer/ligand-encoder.js +1 -2
- package/lib/commonjs/mol-io/writer/mol/encoder.js +1 -2
- package/lib/commonjs/mol-io/writer/mol.js +0 -1
- package/lib/commonjs/mol-io/writer/mol2/encoder.js +1 -2
- package/lib/commonjs/mol-io/writer/mol2.js +0 -1
- package/lib/commonjs/mol-io/writer/sdf.js +0 -1
- package/lib/commonjs/mol-io/writer/writer.js +0 -1
- package/lib/commonjs/mol-math/approx.js +0 -1
- package/lib/commonjs/mol-math/easing.js +0 -1
- package/lib/commonjs/mol-math/geometry/boundary-helper.js +5 -6
- package/lib/commonjs/mol-math/geometry/boundary.js +0 -1
- package/lib/commonjs/mol-math/geometry/centroid-helper.js +0 -1
- package/lib/commonjs/mol-math/geometry/common.js +0 -1
- package/lib/commonjs/mol-math/geometry/distance-transform.js +0 -1
- package/lib/commonjs/mol-math/geometry/gaussian-density/cpu.js +4 -5
- package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.js +1 -2
- package/lib/commonjs/mol-math/geometry/gaussian-density.js +4 -5
- package/lib/commonjs/mol-math/geometry/lookup3d/common.js +0 -1
- package/lib/commonjs/mol-math/geometry/lookup3d/grid.js +0 -1
- package/lib/commonjs/mol-math/geometry/molecular-surface.js +8 -9
- package/lib/commonjs/mol-math/geometry/primitives/axes3d.js +0 -1
- package/lib/commonjs/mol-math/geometry/primitives/box3d.js +0 -1
- package/lib/commonjs/mol-math/geometry/primitives/sphere3d.js +1 -2
- package/lib/commonjs/mol-math/geometry/spacegroup/cell.js +0 -1
- package/lib/commonjs/mol-math/geometry/spacegroup/construction.js +0 -1
- package/lib/commonjs/mol-math/geometry/spacegroup/tables.js +0 -1
- package/lib/commonjs/mol-math/geometry/symmetry-operator.js +0 -1
- package/lib/commonjs/mol-math/geometry.js +8 -9
- package/lib/commonjs/mol-math/graph/int-adjacency-graph.js +0 -1
- package/lib/commonjs/mol-math/graph/inter-unit-graph.js +1 -2
- package/lib/commonjs/mol-math/graph.js +1 -2
- package/lib/commonjs/mol-math/histogram.js +0 -1
- package/lib/commonjs/mol-math/interpolate.js +0 -1
- package/lib/commonjs/mol-math/linear-algebra/3d/common.js +0 -1
- package/lib/commonjs/mol-math/linear-algebra/3d/mat3.js +0 -1
- package/lib/commonjs/mol-math/linear-algebra/3d/mat4.js +0 -1
- package/lib/commonjs/mol-math/linear-algebra/3d/minimize-rmsd.js +0 -1
- package/lib/commonjs/mol-math/linear-algebra/3d/quat.js +0 -1
- package/lib/commonjs/mol-math/linear-algebra/3d/vec2.js +0 -1
- package/lib/commonjs/mol-math/linear-algebra/3d/vec3.js +0 -1
- package/lib/commonjs/mol-math/linear-algebra/3d/vec4.js +0 -1
- package/lib/commonjs/mol-math/linear-algebra/3d.js +0 -1
- package/lib/commonjs/mol-math/linear-algebra/matrix/evd.js +0 -1
- package/lib/commonjs/mol-math/linear-algebra/matrix/matrix.js +0 -1
- package/lib/commonjs/mol-math/linear-algebra/matrix/principal-axes.js +0 -1
- package/lib/commonjs/mol-math/linear-algebra/matrix/svd.js +0 -1
- package/lib/commonjs/mol-math/linear-algebra/tensor.js +0 -1
- package/lib/commonjs/mol-math/linear-algebra.js +2 -3
- package/lib/commonjs/mol-math/misc.js +0 -1
- package/lib/commonjs/mol-model/custom-property.js +0 -1
- package/lib/commonjs/mol-model/location.js +0 -1
- package/lib/commonjs/mol-model/loci.js +0 -1
- package/lib/commonjs/mol-model/sequence/alignment/alignment.js +1 -2
- package/lib/commonjs/mol-model/sequence/alignment/sequence.js +0 -1
- package/lib/commonjs/mol-model/sequence/alignment/substitution-matrix.js +0 -1
- package/lib/commonjs/mol-model/sequence/alignment.js +0 -1
- package/lib/commonjs/mol-model/sequence/constants.js +0 -1
- package/lib/commonjs/mol-model/sequence/sequence.js +2 -2
- package/lib/commonjs/mol-model/sequence.js +1 -2
- package/lib/commonjs/mol-model/shape/provider.js +0 -1
- package/lib/commonjs/mol-model/shape/shape.js +0 -1
- package/lib/commonjs/mol-model/shape.js +1 -2
- package/lib/commonjs/mol-model/structure/coordinates/coordinates.js +0 -1
- package/lib/commonjs/mol-model/structure/coordinates.js +1 -2
- package/lib/commonjs/mol-model/structure/export/categories/atom_site.js +0 -1
- package/lib/commonjs/mol-model/structure/export/categories/atom_site_operator_mapping.js +0 -1
- package/lib/commonjs/mol-model/structure/export/categories/misc.js +0 -1
- package/lib/commonjs/mol-model/structure/export/categories/secondary-structure.js +2 -3
- package/lib/commonjs/mol-model/structure/export/categories/sequence.js +0 -1
- package/lib/commonjs/mol-model/structure/export/categories/utils.js +0 -1
- package/lib/commonjs/mol-model/structure/export/mmcif.js +0 -1
- package/lib/commonjs/mol-model/structure/model/indexing.js +0 -1
- package/lib/commonjs/mol-model/structure/model/model.d.ts +5 -1
- package/lib/commonjs/mol-model/structure/model/model.js +41 -29
- package/lib/commonjs/mol-model/structure/model/properties/atomic/bonds.js +0 -1
- package/lib/commonjs/mol-model/structure/model/properties/atomic/conformation.js +0 -1
- package/lib/commonjs/mol-model/structure/model/properties/atomic/hierarchy.js +0 -1
- package/lib/commonjs/mol-model/structure/model/properties/atomic/measures.js +0 -1
- package/lib/commonjs/mol-model/structure/model/properties/atomic/types.js +0 -1
- package/lib/commonjs/mol-model/structure/model/properties/atomic.js +3 -4
- package/lib/commonjs/mol-model/structure/model/properties/coarse/conformation.js +0 -1
- package/lib/commonjs/mol-model/structure/model/properties/coarse/hierarchy.js +0 -1
- package/lib/commonjs/mol-model/structure/model/properties/coarse.js +2 -3
- package/lib/commonjs/mol-model/structure/model/properties/common.js +0 -1
- package/lib/commonjs/mol-model/structure/model/properties/custom/indexed.js +0 -1
- package/lib/commonjs/mol-model/structure/model/properties/global-transform.js +0 -1
- package/lib/commonjs/mol-model/structure/model/properties/seconday-structure.js +0 -1
- package/lib/commonjs/mol-model/structure/model/properties/sequence.js +0 -1
- package/lib/commonjs/mol-model/structure/model/properties/symmetry.js +0 -1
- package/lib/commonjs/mol-model/structure/model/properties/utils/atomic-derived.js +0 -1
- package/lib/commonjs/mol-model/structure/model/properties/utils/atomic-index.js +0 -1
- package/lib/commonjs/mol-model/structure/model/properties/utils/atomic-ranges.js +0 -1
- package/lib/commonjs/mol-model/structure/model/properties/utils/coarse-keys.js +0 -1
- package/lib/commonjs/mol-model/structure/model/properties/utils/coarse-ranges.js +0 -1
- package/lib/commonjs/mol-model/structure/model/properties/utils/residue-set.js +0 -1
- package/lib/commonjs/mol-model/structure/model/types/ions.js +0 -1
- package/lib/commonjs/mol-model/structure/model/types/lipids.js +0 -1
- package/lib/commonjs/mol-model/structure/model/types/saccharides.d.ts +8 -0
- package/lib/commonjs/mol-model/structure/model/types/saccharides.js +11 -0
- package/lib/commonjs/mol-model/structure/model/types.js +0 -1
- package/lib/commonjs/mol-model/structure/model/util.js +0 -1
- package/lib/commonjs/mol-model/structure/model.js +3 -4
- package/lib/commonjs/mol-model/structure/query/context.js +0 -1
- package/lib/commonjs/mol-model/structure/query/predicates.js +0 -1
- package/lib/commonjs/mol-model/structure/query/queries/combinators.js +0 -1
- package/lib/commonjs/mol-model/structure/query/queries/filters.js +0 -1
- package/lib/commonjs/mol-model/structure/query/queries/generators.js +2 -3
- package/lib/commonjs/mol-model/structure/query/queries/internal.js +0 -1
- package/lib/commonjs/mol-model/structure/query/queries/modifiers.js +2 -3
- package/lib/commonjs/mol-model/structure/query/query.js +0 -1
- package/lib/commonjs/mol-model/structure/query/selection.js +0 -1
- package/lib/commonjs/mol-model/structure/query/utils/builders.js +0 -1
- package/lib/commonjs/mol-model/structure/query/utils/structure-distance.js +0 -1
- package/lib/commonjs/mol-model/structure/query/utils/structure-set.js +0 -1
- package/lib/commonjs/mol-model/structure/query.js +6 -7
- package/lib/commonjs/mol-model/structure/structure/carbohydrates/compute.js +1 -2
- package/lib/commonjs/mol-model/structure/structure/carbohydrates/constants.d.ts +1 -1
- package/lib/commonjs/mol-model/structure/structure/carbohydrates/constants.js +6 -10
- package/lib/commonjs/mol-model/structure/structure/carbohydrates/data.js +0 -1
- package/lib/commonjs/mol-model/structure/structure/element/bundle.js +0 -1
- package/lib/commonjs/mol-model/structure/structure/element/element.js +5 -6
- package/lib/commonjs/mol-model/structure/structure/element/location.js +0 -1
- package/lib/commonjs/mol-model/structure/structure/element/loci.js +0 -1
- package/lib/commonjs/mol-model/structure/structure/element/stats.js +0 -1
- package/lib/commonjs/mol-model/structure/structure/element/util.js +0 -1
- package/lib/commonjs/mol-model/structure/structure/element.js +1 -2
- package/lib/commonjs/mol-model/structure/structure/properties.js +0 -1
- package/lib/commonjs/mol-model/structure/structure/structure.d.ts +1 -1
- package/lib/commonjs/mol-model/structure/structure/structure.js +17 -8
- package/lib/commonjs/mol-model/structure/structure/symmetry.js +10 -11
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/common.js +0 -1
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/data.d.ts +2 -1
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/data.js +3 -4
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/element-set-intra-bond-cache.js +0 -1
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.d.ts +1 -0
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.js +6 -5
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/intra-compute.js +2 -3
- package/lib/commonjs/mol-model/structure/structure/unit/bonds.js +3 -4
- package/lib/commonjs/mol-model/structure/structure/unit/resonance.d.ts +23 -0
- package/lib/commonjs/mol-model/structure/structure/unit/resonance.js +64 -0
- package/lib/commonjs/mol-model/structure/structure/unit/rings/compute.js +70 -44
- package/lib/commonjs/mol-model/structure/structure/unit/rings.js +0 -1
- package/lib/commonjs/mol-model/structure/structure/unit.d.ts +4 -1
- package/lib/commonjs/mol-model/structure/structure/unit.js +22 -9
- package/lib/commonjs/mol-model/structure/structure/util/boundary.js +0 -1
- package/lib/commonjs/mol-model/structure/structure/util/lookup3d.js +0 -1
- package/lib/commonjs/mol-model/structure/structure/util/polymer.js +0 -1
- package/lib/commonjs/mol-model/structure/structure/util/principal-axes.js +0 -1
- package/lib/commonjs/mol-model/structure/structure/util/subset-builder.js +0 -1
- package/lib/commonjs/mol-model/structure/structure/util/superposition-sifts-mapping.js +0 -1
- package/lib/commonjs/mol-model/structure/structure/util/superposition.js +1 -2
- package/lib/commonjs/mol-model/structure/structure/util/unique-subset-builder.js +0 -1
- package/lib/commonjs/mol-model/structure/structure/util/unit-transforms.js +0 -1
- package/lib/commonjs/mol-model/structure/structure.js +2 -3
- package/lib/commonjs/mol-model/structure/topology/topology.js +0 -1
- package/lib/commonjs/mol-model/structure/topology.js +1 -2
- package/lib/commonjs/mol-model/structure/trajectory.js +0 -1
- package/lib/commonjs/mol-model/structure/util.js +0 -1
- package/lib/commonjs/mol-model/structure.js +6 -7
- package/lib/commonjs/mol-model/volume/grid.js +0 -1
- package/lib/commonjs/mol-model/volume/volume.js +0 -1
- package/lib/commonjs/mol-model/volume.js +2 -3
- package/lib/commonjs/mol-model-formats/format.js +0 -1
- package/lib/commonjs/mol-model-formats/shape/ply.js +7 -8
- package/lib/commonjs/mol-model-formats/structure/basic/atomic.d.ts +1 -1
- package/lib/commonjs/mol-model-formats/structure/basic/atomic.js +2 -16
- package/lib/commonjs/mol-model-formats/structure/basic/coarse.js +3 -4
- package/lib/commonjs/mol-model-formats/structure/basic/entities.js +1 -2
- package/lib/commonjs/mol-model-formats/structure/basic/parser.d.ts +1 -1
- package/lib/commonjs/mol-model-formats/structure/basic/parser.js +10 -11
- package/lib/commonjs/mol-model-formats/structure/basic/properties.js +0 -1
- package/lib/commonjs/mol-model-formats/structure/basic/schema.d.ts +2 -2
- package/lib/commonjs/mol-model-formats/structure/basic/schema.js +7 -3
- package/lib/commonjs/mol-model-formats/structure/basic/sequence.js +0 -1
- package/lib/commonjs/mol-model-formats/structure/basic/sort.js +2 -3
- package/lib/commonjs/mol-model-formats/structure/basic/util.d.ts +33 -2
- package/lib/commonjs/mol-model-formats/structure/basic/util.js +26 -3
- package/lib/commonjs/mol-model-formats/structure/cif-core.js +6 -7
- package/lib/commonjs/mol-model-formats/structure/common/component.d.ts +1 -1
- package/lib/commonjs/mol-model-formats/structure/common/component.js +7 -4
- package/lib/commonjs/mol-model-formats/structure/common/entity.js +0 -1
- package/lib/commonjs/mol-model-formats/structure/common/property.js +0 -1
- package/lib/commonjs/mol-model-formats/structure/common/util.js +0 -1
- package/lib/commonjs/mol-model-formats/structure/cube.js +5 -6
- package/lib/commonjs/mol-model-formats/structure/dcd.js +2 -3
- package/lib/commonjs/mol-model-formats/structure/gro.js +5 -4
- package/lib/commonjs/mol-model-formats/structure/mmcif.d.ts +1 -1
- package/lib/commonjs/mol-model-formats/structure/mmcif.js +4 -3
- package/lib/commonjs/mol-model-formats/structure/mol.js +5 -6
- package/lib/commonjs/mol-model-formats/structure/mol2.js +7 -8
- package/lib/commonjs/mol-model-formats/structure/nctraj.d.ts +9 -0
- package/lib/commonjs/mol-model-formats/structure/nctraj.js +60 -0
- package/lib/commonjs/mol-model-formats/structure/pdb/anisotropic.js +0 -1
- package/lib/commonjs/mol-model-formats/structure/pdb/assembly.js +0 -1
- package/lib/commonjs/mol-model-formats/structure/pdb/atom-site.js +0 -1
- package/lib/commonjs/mol-model-formats/structure/pdb/conect.js +0 -1
- package/lib/commonjs/mol-model-formats/structure/pdb/entity.js +0 -1
- package/lib/commonjs/mol-model-formats/structure/pdb/secondary-structure.js +0 -1
- package/lib/commonjs/mol-model-formats/structure/pdb/to-cif.js +2 -3
- package/lib/commonjs/mol-model-formats/structure/pdb.d.ts +1 -1
- package/lib/commonjs/mol-model-formats/structure/pdb.js +7 -6
- package/lib/commonjs/mol-model-formats/structure/prmtop.d.ts +16 -0
- package/lib/commonjs/mol-model-formats/structure/prmtop.js +147 -0
- package/lib/commonjs/mol-model-formats/structure/property/anisotropic.js +0 -1
- package/lib/commonjs/mol-model-formats/structure/property/assembly.js +0 -1
- package/lib/commonjs/mol-model-formats/structure/property/atoms/chem_comp.js +0 -1
- package/lib/commonjs/mol-model-formats/structure/property/bonds/chem_comp.d.ts +1 -1
- package/lib/commonjs/mol-model-formats/structure/property/bonds/chem_comp.js +7 -6
- package/lib/commonjs/mol-model-formats/structure/property/bonds/index-pair.js +1 -2
- package/lib/commonjs/mol-model-formats/structure/property/bonds/struct_conn.js +0 -1
- package/lib/commonjs/mol-model-formats/structure/property/partial-charge.js +0 -1
- package/lib/commonjs/mol-model-formats/structure/property/secondary-structure.js +0 -1
- package/lib/commonjs/mol-model-formats/structure/property/symmetry.js +11 -2
- package/lib/commonjs/mol-model-formats/structure/psf.js +5 -4
- package/lib/commonjs/mol-model-formats/structure/sdf.js +0 -1
- package/lib/commonjs/mol-model-formats/structure/top.d.ts +16 -0
- package/lib/commonjs/mol-model-formats/structure/top.js +189 -0
- package/lib/commonjs/mol-model-formats/structure/trr.d.ts +9 -0
- package/lib/commonjs/mol-model-formats/structure/trr.js +46 -0
- package/lib/commonjs/mol-model-formats/structure/util.d.ts +2 -2
- package/lib/commonjs/mol-model-formats/structure/util.js +19 -21
- package/lib/commonjs/mol-model-formats/structure/xtc.js +2 -3
- package/lib/commonjs/mol-model-formats/structure/xyz.js +2 -3
- package/lib/commonjs/mol-model-formats/volume/ccp4.js +2 -3
- package/lib/commonjs/mol-model-formats/volume/cube.js +2 -3
- package/lib/commonjs/mol-model-formats/volume/density-server.js +2 -3
- package/lib/commonjs/mol-model-formats/volume/dsn6.js +2 -3
- package/lib/commonjs/mol-model-formats/volume/dx.js +2 -3
- package/lib/commonjs/mol-model-formats/volume/property.js +0 -1
- package/lib/commonjs/mol-model-props/common/custom-element-property.js +2 -3
- package/lib/commonjs/mol-model-props/common/custom-model-property.js +5 -6
- package/lib/commonjs/mol-model-props/common/custom-property.js +1 -2
- package/lib/commonjs/mol-model-props/common/custom-structure-property.js +6 -7
- package/lib/commonjs/mol-model-props/common/wrapper.js +0 -1
- package/lib/commonjs/mol-model-props/computed/accessible-surface-area/shrake-rupley/area.js +2 -3
- package/lib/commonjs/mol-model-props/computed/accessible-surface-area/shrake-rupley/common.js +0 -1
- package/lib/commonjs/mol-model-props/computed/accessible-surface-area/shrake-rupley/radii.js +0 -1
- package/lib/commonjs/mol-model-props/computed/accessible-surface-area/shrake-rupley.js +5 -6
- package/lib/commonjs/mol-model-props/computed/accessible-surface-area.js +4 -5
- package/lib/commonjs/mol-model-props/computed/chemistry/functional-group.js +0 -1
- package/lib/commonjs/mol-model-props/computed/chemistry/geometry.js +0 -1
- package/lib/commonjs/mol-model-props/computed/chemistry/util.js +0 -1
- package/lib/commonjs/mol-model-props/computed/chemistry/valence-model.js +3 -4
- package/lib/commonjs/mol-model-props/computed/helix-orientation/helix-orientation.js +0 -1
- package/lib/commonjs/mol-model-props/computed/helix-orientation.js +2 -3
- package/lib/commonjs/mol-model-props/computed/interactions/charged.js +0 -1
- package/lib/commonjs/mol-model-props/computed/interactions/common.js +1 -2
- package/lib/commonjs/mol-model-props/computed/interactions/contacts-builder.js +0 -1
- package/lib/commonjs/mol-model-props/computed/interactions/contacts.js +1 -2
- package/lib/commonjs/mol-model-props/computed/interactions/features.js +1 -2
- package/lib/commonjs/mol-model-props/computed/interactions/halogen-bonds.js +0 -1
- package/lib/commonjs/mol-model-props/computed/interactions/hydrogen-bonds.js +3 -4
- package/lib/commonjs/mol-model-props/computed/interactions/hydrophobic.js +0 -1
- package/lib/commonjs/mol-model-props/computed/interactions/interactions.js +3 -4
- package/lib/commonjs/mol-model-props/computed/interactions/metal.js +0 -1
- package/lib/commonjs/mol-model-props/computed/interactions/refine.js +0 -1
- package/lib/commonjs/mol-model-props/computed/interactions.js +4 -5
- package/lib/commonjs/mol-model-props/computed/representations/interactions-inter-unit-cylinder.js +10 -5
- package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js +12 -8
- package/lib/commonjs/mol-model-props/computed/representations/interactions.js +1 -2
- package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/backbone-hbonds.js +0 -1
- package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/bends.js +0 -1
- package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/bridges.js +0 -1
- package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/common.js +0 -1
- package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/dihedral-angles.js +0 -1
- package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/helices.js +0 -1
- package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/ladders.js +0 -1
- package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/protein-info.js +0 -1
- package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/sheets.js +0 -1
- package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/trace-lookup.js +0 -1
- package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp/turns.js +0 -1
- package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp.js +2 -3
- package/lib/commonjs/mol-model-props/computed/secondary-structure/zhang-skolnik.js +0 -1
- package/lib/commonjs/mol-model-props/computed/secondary-structure.js +7 -8
- package/lib/commonjs/mol-model-props/computed/themes/accessible-surface-area.js +0 -1
- package/lib/commonjs/mol-model-props/computed/themes/interaction-type.js +0 -1
- package/lib/commonjs/mol-model-props/computed/valence-model.js +4 -5
- package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/color.js +0 -1
- package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/format.js +0 -1
- package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/property.js +2 -3
- package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/representation.js +12 -4
- package/lib/commonjs/mol-model-props/integrative/pair-restraints.js +0 -1
- package/lib/commonjs/mol-model-props/sequence/sifts-mapping.js +2 -3
- package/lib/commonjs/mol-model-props/sequence/themes/sifts-mapping.js +3 -4
- package/lib/commonjs/mol-plugin/animation-loop.js +2 -3
- package/lib/commonjs/mol-plugin/behavior/behavior.js +5 -6
- package/lib/commonjs/mol-plugin/behavior/dynamic/camera.js +2 -3
- package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props/computed/accessible-surface-area.js +1 -2
- package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props/computed/interactions.js +1 -2
- package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props/computed/secondary-structure.js +1 -2
- package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props/computed/valence-model.js +1 -2
- package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props/integrative/cross-link-restraint.js +1 -2
- package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props/sequence/sifts-mapping.js +1 -2
- package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props/structure-info.js +2 -3
- package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props.js +0 -1
- package/lib/commonjs/mol-plugin/behavior/dynamic/representation.js +7 -8
- package/lib/commonjs/mol-plugin/behavior/dynamic/selection/structure-focus-representation.js +11 -12
- package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/behavior.js +12 -13
- package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/model.d.ts +3 -2
- package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/model.js +1 -2
- package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/transformers.js +16 -17
- package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/util.js +20 -14
- package/lib/commonjs/mol-plugin/behavior/static/camera.js +0 -1
- package/lib/commonjs/mol-plugin/behavior/static/misc.js +0 -1
- package/lib/commonjs/mol-plugin/behavior/static/representation.js +0 -1
- package/lib/commonjs/mol-plugin/behavior/static/state.js +6 -7
- package/lib/commonjs/mol-plugin/behavior.js +8 -9
- package/lib/commonjs/mol-plugin/command.js +2 -3
- package/lib/commonjs/mol-plugin/commands.d.ts +1 -0
- package/lib/commonjs/mol-plugin/commands.js +0 -1
- package/lib/commonjs/mol-plugin/config.js +0 -1
- package/lib/commonjs/mol-plugin/context.d.ts +2 -1
- package/lib/commonjs/mol-plugin/context.js +9 -9
- package/lib/commonjs/mol-plugin/features.js +0 -1
- package/lib/commonjs/mol-plugin/layout.js +2 -3
- package/lib/commonjs/mol-plugin/spec.js +1 -2
- package/lib/commonjs/mol-plugin/state.js +5 -6
- package/lib/commonjs/mol-plugin/util/substructure-parent-helper.js +0 -1
- package/lib/commonjs/mol-plugin/util/task-manager.js +4 -5
- package/lib/commonjs/mol-plugin/util/toast.js +1 -2
- package/lib/commonjs/mol-plugin/util/viewport-screenshot.js +17 -18
- package/lib/commonjs/mol-plugin/version.js +0 -1
- package/lib/commonjs/mol-plugin-state/actions/file.d.ts +1 -1
- package/lib/commonjs/mol-plugin-state/actions/file.js +94 -62
- package/lib/commonjs/mol-plugin-state/actions/structure.d.ts +11 -2
- package/lib/commonjs/mol-plugin-state/actions/structure.js +190 -21
- package/lib/commonjs/mol-plugin-state/actions/volume.js +5 -5
- package/lib/commonjs/mol-plugin-state/actions.js +3 -4
- package/lib/commonjs/mol-plugin-state/animation/built-in/assembly-unwind.js +2 -3
- package/lib/commonjs/mol-plugin-state/animation/built-in/camera-rock.js +3 -4
- package/lib/commonjs/mol-plugin-state/animation/built-in/camera-spin.js +3 -4
- package/lib/commonjs/mol-plugin-state/animation/built-in/explode-units.js +4 -5
- package/lib/commonjs/mol-plugin-state/animation/built-in/model-index.js +2 -3
- package/lib/commonjs/mol-plugin-state/animation/built-in/spin-structure.js +5 -6
- package/lib/commonjs/mol-plugin-state/animation/built-in/state-interpolation.js +2 -3
- package/lib/commonjs/mol-plugin-state/animation/built-in/state-snapshots.js +5 -6
- package/lib/commonjs/mol-plugin-state/animation/helpers.js +0 -1
- package/lib/commonjs/mol-plugin-state/animation/model.js +0 -1
- package/lib/commonjs/mol-plugin-state/builder/data.js +2 -3
- package/lib/commonjs/mol-plugin-state/builder/preset-provider.js +0 -1
- package/lib/commonjs/mol-plugin-state/builder/structure/hierarchy-preset.js +16 -17
- package/lib/commonjs/mol-plugin-state/builder/structure/hierarchy.js +0 -1
- package/lib/commonjs/mol-plugin-state/builder/structure/representation-preset.js +28 -29
- package/lib/commonjs/mol-plugin-state/builder/structure/representation.js +2 -3
- package/lib/commonjs/mol-plugin-state/builder/structure.js +7 -8
- package/lib/commonjs/mol-plugin-state/component.js +1 -2
- package/lib/commonjs/mol-plugin-state/formats/{structure.d.ts → coordinates.d.ts} +34 -18
- package/lib/commonjs/mol-plugin-state/formats/coordinates.js +70 -0
- package/lib/commonjs/mol-plugin-state/formats/provider.js +0 -1
- package/lib/commonjs/mol-plugin-state/formats/registry.d.ts +3 -3
- package/lib/commonjs/mol-plugin-state/formats/registry.js +13 -9
- package/lib/commonjs/mol-plugin-state/formats/shape.js +2 -3
- package/lib/commonjs/mol-plugin-state/formats/topology.d.ts +73 -0
- package/lib/commonjs/mol-plugin-state/formats/topology.js +87 -0
- package/lib/commonjs/mol-plugin-state/formats/trajectory.js +6 -7
- package/lib/commonjs/mol-plugin-state/formats/volume.js +21 -22
- package/lib/commonjs/mol-plugin-state/helpers/root-structure.js +15 -16
- package/lib/commonjs/mol-plugin-state/helpers/structure-clipping.js +7 -8
- package/lib/commonjs/mol-plugin-state/helpers/structure-component.js +2 -2
- package/lib/commonjs/mol-plugin-state/helpers/structure-overpaint.js +11 -12
- package/lib/commonjs/mol-plugin-state/helpers/structure-query.js +0 -1
- package/lib/commonjs/mol-plugin-state/helpers/structure-representation-params.js +0 -1
- package/lib/commonjs/mol-plugin-state/helpers/structure-selection-query.js +3 -4
- package/lib/commonjs/mol-plugin-state/helpers/structure-substance.js +11 -12
- package/lib/commonjs/mol-plugin-state/helpers/structure-transparency.js +11 -12
- package/lib/commonjs/mol-plugin-state/helpers/volume-representation-params.js +0 -1
- package/lib/commonjs/mol-plugin-state/manager/animation.js +17 -18
- package/lib/commonjs/mol-plugin-state/manager/camera.js +1 -2
- package/lib/commonjs/mol-plugin-state/manager/interactivity.d.ts +5 -3
- package/lib/commonjs/mol-plugin-state/manager/interactivity.js +6 -7
- package/lib/commonjs/mol-plugin-state/manager/loci-label.js +0 -1
- package/lib/commonjs/mol-plugin-state/manager/snapshots.js +14 -15
- package/lib/commonjs/mol-plugin-state/manager/structure/component.js +26 -27
- package/lib/commonjs/mol-plugin-state/manager/structure/focus.js +2 -3
- package/lib/commonjs/mol-plugin-state/manager/structure/hierarchy-state.js +1 -2
- package/lib/commonjs/mol-plugin-state/manager/structure/hierarchy.js +8 -9
- package/lib/commonjs/mol-plugin-state/manager/structure/measurement.js +21 -22
- package/lib/commonjs/mol-plugin-state/manager/structure/selection.js +3 -4
- package/lib/commonjs/mol-plugin-state/manager/volume/hierarchy-state.js +0 -1
- package/lib/commonjs/mol-plugin-state/manager/volume/hierarchy.js +1 -2
- package/lib/commonjs/mol-plugin-state/objects.d.ts +47 -1
- package/lib/commonjs/mol-plugin-state/objects.js +46 -31
- package/lib/commonjs/mol-plugin-state/transforms/data.d.ts +6 -0
- package/lib/commonjs/mol-plugin-state/transforms/data.js +93 -42
- package/lib/commonjs/mol-plugin-state/transforms/helpers.js +0 -1
- package/lib/commonjs/mol-plugin-state/transforms/misc.js +0 -1
- package/lib/commonjs/mol-plugin-state/transforms/model.d.ts +14 -2
- package/lib/commonjs/mol-plugin-state/transforms/model.js +163 -55
- package/lib/commonjs/mol-plugin-state/transforms/representation.js +77 -78
- package/lib/commonjs/mol-plugin-state/transforms/shape.js +2 -3
- package/lib/commonjs/mol-plugin-state/transforms/volume.js +16 -17
- package/lib/commonjs/mol-plugin-state/transforms.js +6 -7
- package/lib/commonjs/mol-plugin-ui/base.js +5 -6
- package/lib/commonjs/mol-plugin-ui/context.js +1 -2
- package/lib/commonjs/mol-plugin-ui/controls/action-menu.js +14 -15
- package/lib/commonjs/mol-plugin-ui/controls/color.js +7 -8
- package/lib/commonjs/mol-plugin-ui/controls/common.js +16 -17
- package/lib/commonjs/mol-plugin-ui/controls/icons.js +70 -71
- package/lib/commonjs/mol-plugin-ui/controls/legend.js +7 -8
- package/lib/commonjs/mol-plugin-ui/controls/line-graph/line-graph-component.js +3 -4
- package/lib/commonjs/mol-plugin-ui/controls/line-graph/point-component.js +2 -3
- package/lib/commonjs/mol-plugin-ui/controls/parameters.js +94 -95
- package/lib/commonjs/mol-plugin-ui/controls/screenshot.js +5 -6
- package/lib/commonjs/mol-plugin-ui/controls/slider.js +16 -17
- package/lib/commonjs/mol-plugin-ui/controls.js +16 -17
- package/lib/commonjs/mol-plugin-ui/custom/volume.js +16 -17
- package/lib/commonjs/mol-plugin-ui/hooks/use-behavior.js +0 -1
- package/lib/commonjs/mol-plugin-ui/index.js +4 -5
- package/lib/commonjs/mol-plugin-ui/left-panel.d.ts +8 -1
- package/lib/commonjs/mol-plugin-ui/left-panel.js +40 -20
- package/lib/commonjs/mol-plugin-ui/plugin.js +17 -18
- package/lib/commonjs/mol-plugin-ui/sequence/chain.js +1 -2
- package/lib/commonjs/mol-plugin-ui/sequence/element.js +1 -2
- package/lib/commonjs/mol-plugin-ui/sequence/hetero.js +1 -2
- package/lib/commonjs/mol-plugin-ui/sequence/polymer.js +1 -2
- package/lib/commonjs/mol-plugin-ui/sequence/sequence.d.ts +2 -2
- package/lib/commonjs/mol-plugin-ui/sequence/sequence.js +10 -12
- package/lib/commonjs/mol-plugin-ui/sequence/wrapper.js +0 -1
- package/lib/commonjs/mol-plugin-ui/sequence.js +9 -10
- package/lib/commonjs/mol-plugin-ui/spec.js +1 -2
- package/lib/commonjs/mol-plugin-ui/state/actions.js +2 -3
- package/lib/commonjs/mol-plugin-ui/state/animation.js +2 -3
- package/lib/commonjs/mol-plugin-ui/state/apply-action.js +1 -2
- package/lib/commonjs/mol-plugin-ui/state/common.js +12 -13
- package/lib/commonjs/mol-plugin-ui/state/snapshots.js +29 -30
- package/lib/commonjs/mol-plugin-ui/state/tree.js +19 -20
- package/lib/commonjs/mol-plugin-ui/state/update-transform.js +3 -4
- package/lib/commonjs/mol-plugin-ui/structure/components.js +19 -20
- package/lib/commonjs/mol-plugin-ui/structure/focus.js +4 -5
- package/lib/commonjs/mol-plugin-ui/structure/generic.js +6 -7
- package/lib/commonjs/mol-plugin-ui/structure/measurements.js +13 -14
- package/lib/commonjs/mol-plugin-ui/structure/quick-styles.js +13 -14
- package/lib/commonjs/mol-plugin-ui/structure/selection.js +13 -14
- package/lib/commonjs/mol-plugin-ui/structure/source.js +12 -13
- package/lib/commonjs/mol-plugin-ui/structure/superposition.js +20 -21
- package/lib/commonjs/mol-plugin-ui/structure/volume.js +12 -13
- package/lib/commonjs/mol-plugin-ui/task.js +8 -9
- package/lib/commonjs/mol-plugin-ui/toast.js +6 -7
- package/lib/commonjs/mol-plugin-ui/viewport/canvas.js +5 -6
- package/lib/commonjs/mol-plugin-ui/viewport/help.js +14 -15
- package/lib/commonjs/mol-plugin-ui/viewport/screenshot.js +8 -9
- package/lib/commonjs/mol-plugin-ui/viewport/simple-settings.js +6 -7
- package/lib/commonjs/mol-plugin-ui/viewport.js +7 -8
- package/lib/commonjs/mol-repr/representation.js +4 -5
- package/lib/commonjs/mol-repr/shape/loci/angle.js +9 -10
- package/lib/commonjs/mol-repr/shape/loci/common.js +1 -2
- package/lib/commonjs/mol-repr/shape/loci/dihedral.js +14 -15
- package/lib/commonjs/mol-repr/shape/loci/distance.js +5 -6
- package/lib/commonjs/mol-repr/shape/loci/label.js +3 -4
- package/lib/commonjs/mol-repr/shape/loci/orientation.js +4 -5
- package/lib/commonjs/mol-repr/shape/loci/plane.js +2 -3
- package/lib/commonjs/mol-repr/shape/model/unitcell.js +2 -3
- package/lib/commonjs/mol-repr/shape/representation.js +2 -3
- package/lib/commonjs/mol-repr/structure/complex-representation.js +2 -3
- package/lib/commonjs/mol-repr/structure/complex-visual.js +12 -13
- package/lib/commonjs/mol-repr/structure/params.js +8 -9
- package/lib/commonjs/mol-repr/structure/registry.js +1 -2
- package/lib/commonjs/mol-repr/structure/representation/backbone.js +1 -2
- package/lib/commonjs/mol-repr/structure/representation/ball-and-stick.js +1 -2
- package/lib/commonjs/mol-repr/structure/representation/carbohydrate.js +1 -2
- package/lib/commonjs/mol-repr/structure/representation/cartoon.js +3 -4
- package/lib/commonjs/mol-repr/structure/representation/ellipsoid.js +1 -2
- package/lib/commonjs/mol-repr/structure/representation/gaussian-surface.js +1 -2
- package/lib/commonjs/mol-repr/structure/representation/gaussian-volume.js +1 -2
- package/lib/commonjs/mol-repr/structure/representation/label.js +1 -2
- package/lib/commonjs/mol-repr/structure/representation/line.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/representation/line.js +2 -3
- package/lib/commonjs/mol-repr/structure/representation/molecular-surface.js +1 -2
- package/lib/commonjs/mol-repr/structure/representation/orientation.js +1 -2
- package/lib/commonjs/mol-repr/structure/representation/point.js +1 -2
- package/lib/commonjs/mol-repr/structure/representation/putty.js +1 -2
- package/lib/commonjs/mol-repr/structure/representation/spacefill.js +1 -2
- package/lib/commonjs/mol-repr/structure/representation.js +1 -2
- package/lib/commonjs/mol-repr/structure/units-representation.js +2 -3
- package/lib/commonjs/mol-repr/structure/units-visual.js +16 -17
- package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-cylinder.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-cylinder.js +21 -12
- package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-line.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-line.js +11 -7
- package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-cylinder.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-cylinder.js +26 -10
- package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-line.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-line.js +18 -7
- package/lib/commonjs/mol-repr/structure/visual/carbohydrate-link-cylinder.js +11 -3
- package/lib/commonjs/mol-repr/structure/visual/carbohydrate-symbol-mesh.js +1 -2
- package/lib/commonjs/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.js +11 -3
- package/lib/commonjs/mol-repr/structure/visual/element-cross.js +1 -2
- package/lib/commonjs/mol-repr/structure/visual/element-point.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/visual/element-point.js +23 -5
- package/lib/commonjs/mol-repr/structure/visual/element-sphere.js +1 -2
- package/lib/commonjs/mol-repr/structure/visual/ellipsoid-mesh.js +1 -2
- package/lib/commonjs/mol-repr/structure/visual/gaussian-density-volume.js +6 -7
- package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-mesh.js +11 -12
- package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-wireframe.js +3 -4
- package/lib/commonjs/mol-repr/structure/visual/label-text.js +1 -2
- package/lib/commonjs/mol-repr/structure/visual/molecular-surface-mesh.js +3 -4
- package/lib/commonjs/mol-repr/structure/visual/molecular-surface-wireframe.js +3 -4
- package/lib/commonjs/mol-repr/structure/visual/nucleotide-block-mesh.js +1 -2
- package/lib/commonjs/mol-repr/structure/visual/nucleotide-ring-mesh.js +1 -2
- package/lib/commonjs/mol-repr/structure/visual/orientation-ellipsoid-mesh.js +1 -2
- package/lib/commonjs/mol-repr/structure/visual/polymer-backbone-cylinder.js +1 -2
- package/lib/commonjs/mol-repr/structure/visual/polymer-backbone-sphere.js +1 -2
- package/lib/commonjs/mol-repr/structure/visual/polymer-direction-wedge.js +1 -2
- package/lib/commonjs/mol-repr/structure/visual/polymer-gap-cylinder.js +1 -2
- package/lib/commonjs/mol-repr/structure/visual/polymer-trace-mesh.js +1 -2
- package/lib/commonjs/mol-repr/structure/visual/polymer-tube-mesh.js +1 -2
- package/lib/commonjs/mol-repr/structure/visual/util/bond.js +2 -3
- package/lib/commonjs/mol-repr/structure/visual/util/common.js +1 -2
- package/lib/commonjs/mol-repr/structure/visual/util/element.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/visual/util/element.js +13 -8
- package/lib/commonjs/mol-repr/structure/visual/util/gaussian.js +13 -14
- package/lib/commonjs/mol-repr/structure/visual/util/link.d.ts +13 -3
- package/lib/commonjs/mol-repr/structure/visual/util/link.js +55 -7
- package/lib/commonjs/mol-repr/structure/visual/util/molecular-surface.js +5 -6
- package/lib/commonjs/mol-repr/structure/visual/util/nucleotide.js +0 -1
- package/lib/commonjs/mol-repr/structure/visual/util/polymer/backbone.js +0 -1
- package/lib/commonjs/mol-repr/structure/visual/util/polymer/curve-segment.js +0 -1
- package/lib/commonjs/mol-repr/structure/visual/util/polymer/gap-iterator.js +0 -1
- package/lib/commonjs/mol-repr/structure/visual/util/polymer/trace-iterator.js +0 -1
- package/lib/commonjs/mol-repr/structure/visual/util/polymer.js +4 -5
- package/lib/commonjs/mol-repr/util.js +1 -2
- package/lib/commonjs/mol-repr/visual.js +0 -1
- package/lib/commonjs/mol-repr/volume/direct-volume.js +3 -4
- package/lib/commonjs/mol-repr/volume/isosurface.js +9 -10
- package/lib/commonjs/mol-repr/volume/registry.js +1 -2
- package/lib/commonjs/mol-repr/volume/representation.js +5 -6
- package/lib/commonjs/mol-repr/volume/slice.js +4 -5
- package/lib/commonjs/mol-repr/volume/util.js +0 -1
- package/lib/commonjs/mol-script/compiler.js +0 -1
- package/lib/commonjs/mol-script/language/builder.d.ts +0 -1
- package/lib/commonjs/mol-script/language/builder.js +0 -1
- package/lib/commonjs/mol-script/language/container.js +0 -1
- package/lib/commonjs/mol-script/language/expression-formatter.js +0 -1
- package/lib/commonjs/mol-script/language/expression.js +0 -1
- package/lib/commonjs/mol-script/language/helpers.js +0 -1
- package/lib/commonjs/mol-script/language/parser.js +7 -5
- package/lib/commonjs/mol-script/language/symbol-table/core.js +0 -1
- package/lib/commonjs/mol-script/language/symbol-table/internal.js +1 -2
- package/lib/commonjs/mol-script/language/symbol-table/structure-query.js +1 -2
- package/lib/commonjs/mol-script/language/symbol-table.js +0 -1
- package/lib/commonjs/mol-script/language/symbol.js +0 -1
- package/lib/commonjs/mol-script/language/type.js +0 -1
- package/lib/commonjs/mol-script/runtime/environment.js +0 -1
- package/lib/commonjs/mol-script/runtime/expression.js +0 -1
- package/lib/commonjs/mol-script/runtime/query/base.js +0 -1
- package/lib/commonjs/mol-script/runtime/query/compiler.js +1 -2
- package/lib/commonjs/mol-script/runtime/query/table.js +0 -1
- package/lib/commonjs/mol-script/runtime/runtime-macro.js +0 -1
- package/lib/commonjs/mol-script/runtime/symbol.js +0 -1
- package/lib/commonjs/mol-script/script/mol-script/examples.js +0 -1
- package/lib/commonjs/mol-script/script/mol-script/parser.js +0 -1
- package/lib/commonjs/mol-script/script/mol-script/script-macro.js +0 -1
- package/lib/commonjs/mol-script/script/mol-script/symbols.js +1 -2
- package/lib/commonjs/mol-script/script/parser.js +0 -1
- package/lib/commonjs/mol-script/script.js +0 -1
- package/lib/commonjs/mol-script/util/id-list.js +0 -1
- package/lib/commonjs/mol-state/action/manager.js +0 -1
- package/lib/commonjs/mol-state/action.js +1 -2
- package/lib/commonjs/mol-state/index.js +8 -9
- package/lib/commonjs/mol-state/object.js +0 -1
- package/lib/commonjs/mol-state/state/builder.js +2 -3
- package/lib/commonjs/mol-state/state/selection.js +1 -2
- package/lib/commonjs/mol-state/state.js +21 -22
- package/lib/commonjs/mol-state/transform.js +4 -5
- package/lib/commonjs/mol-state/transformer.js +1 -2
- package/lib/commonjs/mol-state/tree/immutable.js +0 -1
- package/lib/commonjs/mol-state/tree/spine.js +0 -1
- package/lib/commonjs/mol-state/tree/transient.js +0 -1
- package/lib/commonjs/mol-state/tree.js +0 -1
- package/lib/commonjs/mol-task/execution/observable.js +5 -6
- package/lib/commonjs/mol-task/execution/progress.js +0 -1
- package/lib/commonjs/mol-task/execution/runtime-context.js +0 -1
- package/lib/commonjs/mol-task/execution/synchronous.js +0 -1
- package/lib/commonjs/mol-task/index.js +0 -1
- package/lib/commonjs/mol-task/task.js +3 -4
- package/lib/commonjs/mol-task/util/chunked.js +2 -3
- package/lib/commonjs/mol-task/util/multistep.js +1 -2
- package/lib/commonjs/mol-task/util/scheduler.d.ts +2 -2
- package/lib/commonjs/mol-task/util/scheduler.js +8 -9
- package/lib/commonjs/mol-task/util/user-timing.js +0 -1
- package/lib/commonjs/mol-theme/clipping.js +0 -1
- package/lib/commonjs/mol-theme/color/atom-id.js +1 -2
- package/lib/commonjs/mol-theme/color/carbohydrate-symbol.js +0 -1
- package/lib/commonjs/mol-theme/color/chain-id.js +1 -2
- package/lib/commonjs/mol-theme/color/element-index.js +1 -2
- package/lib/commonjs/mol-theme/color/element-symbol.js +0 -1
- package/lib/commonjs/mol-theme/color/entity-id.js +1 -2
- package/lib/commonjs/mol-theme/color/entity-source.js +2 -3
- package/lib/commonjs/mol-theme/color/hydrophobicity.js +2 -3
- package/lib/commonjs/mol-theme/color/illustrative.js +0 -1
- package/lib/commonjs/mol-theme/color/model-index.js +1 -2
- package/lib/commonjs/mol-theme/color/molecule-type.js +0 -1
- package/lib/commonjs/mol-theme/color/occupancy.js +0 -1
- package/lib/commonjs/mol-theme/color/operator-hkl.js +2 -3
- package/lib/commonjs/mol-theme/color/operator-name.js +1 -2
- package/lib/commonjs/mol-theme/color/partial-charge.js +0 -1
- package/lib/commonjs/mol-theme/color/polymer-id.js +2 -3
- package/lib/commonjs/mol-theme/color/polymer-index.js +2 -3
- package/lib/commonjs/mol-theme/color/residue-name.js +0 -1
- package/lib/commonjs/mol-theme/color/secondary-structure.js +0 -1
- package/lib/commonjs/mol-theme/color/sequence-id.js +0 -1
- package/lib/commonjs/mol-theme/color/shape-group.js +0 -1
- package/lib/commonjs/mol-theme/color/uncertainty.js +0 -1
- package/lib/commonjs/mol-theme/color/uniform.js +0 -1
- package/lib/commonjs/mol-theme/color/unit-index.js +2 -3
- package/lib/commonjs/mol-theme/color/volume-value.js +0 -1
- package/lib/commonjs/mol-theme/color.js +0 -1
- package/lib/commonjs/mol-theme/label.js +6 -7
- package/lib/commonjs/mol-theme/overpaint.js +0 -1
- package/lib/commonjs/mol-theme/size/physical.js +0 -1
- package/lib/commonjs/mol-theme/size/shape-group.js +0 -1
- package/lib/commonjs/mol-theme/size/uncertainty.js +0 -1
- package/lib/commonjs/mol-theme/size/uniform.js +0 -1
- package/lib/commonjs/mol-theme/size.js +0 -1
- package/lib/commonjs/mol-theme/substance.js +0 -1
- package/lib/commonjs/mol-theme/theme.js +3 -4
- package/lib/commonjs/mol-theme/transparency.js +0 -1
- package/lib/commonjs/mol-util/array.js +0 -1
- package/lib/commonjs/mol-util/assets.js +7 -8
- package/lib/commonjs/mol-util/async-queue.js +0 -1
- package/lib/commonjs/mol-util/binding.js +0 -1
- package/lib/commonjs/mol-util/bit-flags.js +0 -1
- package/lib/commonjs/mol-util/clip.js +0 -1
- package/lib/commonjs/mol-util/color/color.js +0 -1
- package/lib/commonjs/mol-util/color/distinct.js +1 -2
- package/lib/commonjs/mol-util/color/index.js +0 -1
- package/lib/commonjs/mol-util/color/lists.js +0 -1
- package/lib/commonjs/mol-util/color/names.js +0 -1
- package/lib/commonjs/mol-util/color/palette.js +3 -4
- package/lib/commonjs/mol-util/color/params.js +0 -1
- package/lib/commonjs/mol-util/color/scale.js +2 -3
- package/lib/commonjs/mol-util/color/spaces/hcl.js +0 -1
- package/lib/commonjs/mol-util/color/spaces/lab.js +0 -1
- package/lib/commonjs/mol-util/color/swatches.js +0 -1
- package/lib/commonjs/mol-util/console-logger.js +0 -1
- package/lib/commonjs/mol-util/data-source.js +14 -14
- package/lib/commonjs/mol-util/date.js +0 -1
- package/lib/commonjs/mol-util/debug.js +0 -1
- package/lib/commonjs/mol-util/download.js +0 -1
- package/lib/commonjs/mol-util/file-info.d.ts +1 -3
- package/lib/commonjs/mol-util/file-info.js +2 -11
- package/lib/commonjs/mol-util/graphql-client.js +4 -5
- package/lib/commonjs/mol-util/id-factory.js +0 -1
- package/lib/commonjs/mol-util/image.js +0 -1
- package/lib/commonjs/mol-util/index.d.ts +1 -0
- package/lib/commonjs/mol-util/index.js +8 -3
- package/lib/commonjs/mol-util/input/event-offset.js +0 -1
- package/lib/commonjs/mol-util/input/input-observer.js +6 -7
- package/lib/commonjs/mol-util/is-little-endian.js +0 -1
- package/lib/commonjs/mol-util/legend.js +0 -1
- package/lib/commonjs/mol-util/log-entry.js +0 -1
- package/lib/commonjs/mol-util/lru-cache.js +0 -1
- package/lib/commonjs/mol-util/make-dir.js +1 -2
- package/lib/commonjs/mol-util/map.js +0 -1
- package/lib/commonjs/mol-util/marker-action.js +0 -1
- package/lib/commonjs/mol-util/mask.js +0 -1
- package/lib/commonjs/mol-util/material.js +2 -3
- package/lib/commonjs/mol-util/memoize.js +0 -1
- package/lib/commonjs/mol-util/monadic-parser.js +2 -3
- package/lib/commonjs/mol-util/now.js +0 -1
- package/lib/commonjs/mol-util/number-packing.js +0 -1
- package/lib/commonjs/mol-util/number.js +0 -1
- package/lib/commonjs/mol-util/object.js +0 -1
- package/lib/commonjs/mol-util/param-definition.js +7 -8
- package/lib/commonjs/mol-util/param-mapping.js +0 -1
- package/lib/commonjs/mol-util/performance-monitor.js +0 -1
- package/lib/commonjs/mol-util/polyfill.js +0 -1
- package/lib/commonjs/mol-util/read.js +2 -3
- package/lib/commonjs/mol-util/reference-cache.js +0 -1
- package/lib/commonjs/mol-util/retry-if.js +2 -3
- package/lib/commonjs/mol-util/rx-event-helper.js +0 -1
- package/lib/commonjs/mol-util/set.js +0 -1
- package/lib/commonjs/mol-util/sleep.js +0 -1
- package/lib/commonjs/mol-util/string-builder.js +0 -1
- package/lib/commonjs/mol-util/string.js +1 -2
- package/lib/commonjs/mol-util/type-helpers.js +0 -1
- package/lib/commonjs/mol-util/url.js +0 -1
- package/lib/commonjs/mol-util/uuid.js +0 -1
- package/lib/commonjs/mol-util/value-cell.js +0 -1
- package/lib/commonjs/mol-util/zip/bin.js +0 -1
- package/lib/commonjs/mol-util/zip/checksum.js +0 -1
- package/lib/commonjs/mol-util/zip/deflate.js +4 -4
- package/lib/commonjs/mol-util/zip/huffman.js +0 -1
- package/lib/commonjs/mol-util/zip/inflate.js +2 -3
- package/lib/commonjs/mol-util/zip/util.js +0 -1
- package/lib/commonjs/mol-util/zip/zip.d.ts +7 -1
- package/lib/commonjs/mol-util/zip/zip.js +21 -17
- package/lib/commonjs/servers/common/file-handle.js +1 -2
- package/lib/commonjs/servers/common/swagger-ui/index.js +1 -2
- package/lib/commonjs/servers/common/swagger-ui/indexTemplate.js +0 -1
- package/lib/commonjs/servers/common/util.js +0 -1
- package/lib/commonjs/servers/model/config.d.ts +2 -2
- package/lib/commonjs/servers/model/config.js +5 -6
- package/lib/commonjs/servers/model/preprocess/converter.js +2 -3
- package/lib/commonjs/servers/model/preprocess/master.js +3 -4
- package/lib/commonjs/servers/model/preprocess/parallel.js +6 -7
- package/lib/commonjs/servers/model/preprocess/preprocess.js +4 -5
- package/lib/commonjs/servers/model/preprocess/util.js +0 -1
- package/lib/commonjs/servers/model/preprocess.js +1 -2
- package/lib/commonjs/servers/model/properties/pdbe.js +0 -1
- package/lib/commonjs/servers/model/properties/providers/pdbe.js +8 -9
- package/lib/commonjs/servers/model/properties/providers/wwpdb.js +12 -13
- package/lib/commonjs/servers/model/properties/wwpdb.js +0 -1
- package/lib/commonjs/servers/model/property-provider.js +3 -4
- package/lib/commonjs/servers/model/query/atoms.js +0 -1
- package/lib/commonjs/servers/model/query/schemas.js +0 -1
- package/lib/commonjs/servers/model/query.js +1 -2
- package/lib/commonjs/servers/model/server/api-local.js +2 -3
- package/lib/commonjs/servers/model/server/api-schema.js +2 -3
- package/lib/commonjs/servers/model/server/api-web-multiple.js +0 -1
- package/lib/commonjs/servers/model/server/api-web.js +5 -6
- package/lib/commonjs/servers/model/server/api.js +6 -7
- package/lib/commonjs/servers/model/server/cache.js +0 -1
- package/lib/commonjs/servers/model/server/jobs.js +0 -1
- package/lib/commonjs/servers/model/server/query.js +15 -16
- package/lib/commonjs/servers/model/server/structure-wrapper.js +21 -22
- package/lib/commonjs/servers/model/server.js +2 -3
- package/lib/commonjs/servers/model/test.js +0 -1
- package/lib/commonjs/servers/model/utils/fetch-props-pdbe.js +6 -7
- package/lib/commonjs/servers/model/utils/fetch-retry.js +3 -4
- package/lib/commonjs/servers/model/utils/tar.js +0 -1
- package/lib/commonjs/servers/model/utils/writer.js +3 -4
- package/lib/commonjs/servers/model/version.js +0 -1
- package/lib/commonjs/servers/plugin-state/api-schema.js +0 -1
- package/lib/commonjs/servers/plugin-state/config.js +1 -2
- package/lib/commonjs/servers/plugin-state/index.js +6 -7
- package/lib/commonjs/servers/plugin-state/version.js +0 -1
- package/lib/commonjs/servers/volume/common/binary-schema.js +1 -2
- package/lib/commonjs/servers/volume/common/data-format.js +3 -4
- package/lib/commonjs/servers/volume/common/file.js +8 -9
- package/lib/commonjs/servers/volume/config.js +6 -7
- package/lib/commonjs/servers/volume/pack/data-model.js +0 -1
- package/lib/commonjs/servers/volume/pack/downsampling.js +0 -1
- package/lib/commonjs/servers/volume/pack/format/ccp4.js +4 -5
- package/lib/commonjs/servers/volume/pack/format/dsn6.js +4 -5
- package/lib/commonjs/servers/volume/pack/format.js +3 -4
- package/lib/commonjs/servers/volume/pack/main.js +13 -14
- package/lib/commonjs/servers/volume/pack/sampling.js +13 -14
- package/lib/commonjs/servers/volume/pack/version.js +0 -1
- package/lib/commonjs/servers/volume/pack/writer.js +2 -3
- package/lib/commonjs/servers/volume/pack.js +1 -2
- package/lib/commonjs/servers/volume/query.js +4 -5
- package/lib/commonjs/servers/volume/server/algebra/box.js +1 -2
- package/lib/commonjs/servers/volume/server/algebra/coordinate.js +0 -1
- package/lib/commonjs/servers/volume/server/api.js +8 -9
- package/lib/commonjs/servers/volume/server/local-api.js +8 -9
- package/lib/commonjs/servers/volume/server/query/compose.js +8 -9
- package/lib/commonjs/servers/volume/server/query/data-model.js +0 -1
- package/lib/commonjs/servers/volume/server/query/encode.js +0 -1
- package/lib/commonjs/servers/volume/server/query/execute.js +10 -11
- package/lib/commonjs/servers/volume/server/query/identify.js +2 -3
- package/lib/commonjs/servers/volume/server/state.js +0 -1
- package/lib/commonjs/servers/volume/server/version.js +0 -1
- package/lib/commonjs/servers/volume/server/web-api.js +7 -8
- package/lib/commonjs/servers/volume/server/web-schema.js +0 -1
- package/lib/commonjs/servers/volume/server.js +2 -3
- package/lib/examples/alpha-orbitals/controls.js +2 -3
- package/lib/examples/alpha-orbitals/example-data.js +0 -1
- package/lib/examples/alpha-orbitals/index.html +61 -61
- package/lib/examples/alpha-orbitals/index.js +0 -1
- package/lib/examples/basic-wrapper/coloring.js +0 -1
- package/lib/examples/basic-wrapper/controls.js +1 -2
- package/lib/examples/basic-wrapper/custom-theme.js +0 -1
- package/lib/examples/basic-wrapper/index.html +137 -137
- package/lib/examples/basic-wrapper/index.js +0 -1
- package/lib/examples/basic-wrapper/superposition.js +0 -1
- package/lib/examples/domain-annotation-server/mapping.js +0 -1
- package/lib/examples/domain-annotation-server/schemas.js +0 -1
- package/lib/examples/domain-annotation-server/server.js +0 -1
- package/lib/examples/domain-annotation-server/test.js +0 -1
- package/lib/examples/lighting/index.html +88 -88
- package/lib/examples/lighting/index.js +2 -3
- package/lib/examples/proteopedia-wrapper/annotation.js +0 -1
- package/lib/examples/proteopedia-wrapper/coloring.js +0 -1
- package/lib/examples/proteopedia-wrapper/helpers.js +0 -1
- package/lib/examples/proteopedia-wrapper/index.html +236 -236
- package/lib/examples/proteopedia-wrapper/index.js +0 -1
- package/lib/examples/proteopedia-wrapper/ui/controls.js +1 -2
- package/lib/examples/task.js +0 -1
- package/lib/extensions/alpha-orbitals/collocation.js +0 -1
- package/lib/extensions/alpha-orbitals/data-model.js +0 -1
- package/lib/extensions/alpha-orbitals/density.js +0 -1
- package/lib/extensions/alpha-orbitals/gpu/compute.js +0 -1
- package/lib/extensions/alpha-orbitals/gpu/shader.frag.js +0 -1
- package/lib/extensions/alpha-orbitals/orbitals.js +0 -1
- package/lib/extensions/alpha-orbitals/spherical-functions.js +0 -1
- package/lib/extensions/alpha-orbitals/transforms.js +0 -1
- package/lib/extensions/anvil/algorithm.js +0 -1
- package/lib/extensions/anvil/behavior.js +0 -1
- package/lib/extensions/anvil/prop.js +0 -1
- package/lib/extensions/anvil/representation.js +0 -1
- package/lib/extensions/cellpack/color/generate.js +0 -1
- package/lib/extensions/cellpack/color/provided.js +0 -1
- package/lib/extensions/cellpack/curve.js +0 -1
- package/lib/extensions/cellpack/data.js +0 -1
- package/lib/extensions/cellpack/index.js +0 -1
- package/lib/extensions/cellpack/model.js +4 -3
- package/lib/extensions/cellpack/preset.js +0 -1
- package/lib/extensions/cellpack/property.js +0 -1
- package/lib/extensions/cellpack/representation.js +0 -1
- package/lib/extensions/cellpack/state.js +2 -3
- package/lib/extensions/cellpack/util.js +0 -1
- package/lib/extensions/dnatco/confal-pyramids/behavior.js +0 -1
- package/lib/extensions/dnatco/confal-pyramids/color.js +0 -1
- package/lib/extensions/dnatco/confal-pyramids/property.js +0 -1
- package/lib/extensions/dnatco/confal-pyramids/representation.js +0 -1
- package/lib/extensions/dnatco/confal-pyramids/types.js +0 -1
- package/lib/extensions/dnatco/confal-pyramids/util.js +0 -1
- package/lib/extensions/dnatco/index.js +0 -1
- package/lib/extensions/g3d/data.js +0 -1
- package/lib/extensions/g3d/format.js +0 -1
- package/lib/extensions/g3d/model.js +0 -1
- package/lib/extensions/geo-export/controls.js +0 -1
- package/lib/extensions/geo-export/glb-exporter.js +0 -1
- package/lib/extensions/geo-export/index.js +0 -1
- package/lib/extensions/geo-export/mesh-exporter.js +0 -1
- package/lib/extensions/geo-export/obj-exporter.js +0 -1
- package/lib/extensions/geo-export/render-object-exporter.js +0 -1
- package/lib/extensions/geo-export/stl-exporter.js +0 -1
- package/lib/extensions/geo-export/ui.js +2 -3
- package/lib/extensions/geo-export/usdz-exporter.js +0 -1
- package/lib/extensions/model-archive/quality-assessment/behavior.js +0 -1
- package/lib/extensions/model-archive/quality-assessment/color/plddt.js +0 -1
- package/lib/extensions/model-archive/quality-assessment/color/qmean.js +0 -1
- package/lib/extensions/model-archive/quality-assessment/prop.js +0 -1
- package/lib/extensions/model-export/export.js +0 -1
- package/lib/extensions/model-export/index.js +0 -1
- package/lib/extensions/model-export/ui.js +2 -3
- package/lib/extensions/mp4-export/controls.js +0 -1
- package/lib/extensions/mp4-export/encoder.js +0 -1
- package/lib/extensions/mp4-export/index.js +0 -1
- package/lib/extensions/mp4-export/ui.js +2 -3
- package/lib/extensions/pdbe/index.js +0 -1
- package/lib/extensions/pdbe/preferred-assembly.js +0 -1
- package/lib/extensions/pdbe/struct-ref-domain.js +0 -1
- package/lib/extensions/pdbe/structure-quality-report/behavior.js +0 -1
- package/lib/extensions/pdbe/structure-quality-report/color.js +0 -1
- package/lib/extensions/pdbe/structure-quality-report/prop.js +0 -1
- package/lib/extensions/rcsb/assembly-symmetry/behavior.js +0 -1
- package/lib/extensions/rcsb/assembly-symmetry/color.js +0 -1
- package/lib/extensions/rcsb/assembly-symmetry/prop.js +0 -1
- package/lib/extensions/rcsb/assembly-symmetry/representation.js +0 -1
- package/lib/extensions/rcsb/assembly-symmetry/ui.js +3 -4
- package/lib/extensions/rcsb/graphql/symmetry.gql.js +0 -1
- package/lib/extensions/rcsb/graphql/types.d.ts +158 -1
- package/lib/extensions/rcsb/graphql/types.js +0 -1
- package/lib/extensions/rcsb/index.js +0 -1
- package/lib/extensions/rcsb/validation-report/behavior.js +0 -1
- package/lib/extensions/rcsb/validation-report/color/density-fit.js +0 -1
- package/lib/extensions/rcsb/validation-report/color/geometry-quality.js +0 -1
- package/lib/extensions/rcsb/validation-report/color/random-coil-index.js +0 -1
- package/lib/extensions/rcsb/validation-report/prop.js +0 -1
- package/lib/extensions/rcsb/validation-report/representation.js +19 -3
- package/lib/extensions/zenodo/index.d.ts +7 -0
- package/lib/extensions/zenodo/index.js +32 -0
- package/lib/extensions/zenodo/ui.d.ts +61 -0
- package/lib/extensions/zenodo/ui.js +303 -0
- package/lib/mol-canvas3d/camera/stereo.js +0 -1
- package/lib/mol-canvas3d/camera/transition.js +0 -1
- package/lib/mol-canvas3d/camera/util.js +0 -1
- package/lib/mol-canvas3d/camera.js +2 -2
- package/lib/mol-canvas3d/canvas3d.d.ts +3 -1
- package/lib/mol-canvas3d/canvas3d.js +32 -25
- package/lib/mol-canvas3d/controls/object.js +0 -1
- package/lib/mol-canvas3d/controls/trackball.js +0 -1
- package/lib/mol-canvas3d/helper/bounding-sphere-helper.js +0 -1
- package/lib/mol-canvas3d/helper/camera-helper.js +1 -2
- package/lib/mol-canvas3d/helper/handle-helper.js +1 -2
- package/lib/mol-canvas3d/helper/helper.js +0 -1
- package/lib/mol-canvas3d/helper/interaction-events.js +1 -2
- package/lib/mol-canvas3d/passes/draw.js +12 -10
- package/lib/mol-canvas3d/passes/fxaa.js +0 -1
- package/lib/mol-canvas3d/passes/image.d.ts +1 -0
- package/lib/mol-canvas3d/passes/image.js +0 -1
- package/lib/mol-canvas3d/passes/marking.js +0 -1
- package/lib/mol-canvas3d/passes/multi-sample.d.ts +1 -1
- package/lib/mol-canvas3d/passes/multi-sample.js +20 -7
- package/lib/mol-canvas3d/passes/passes.js +0 -1
- package/lib/mol-canvas3d/passes/pick.js +0 -1
- package/lib/mol-canvas3d/passes/postprocessing.d.ts +8 -1
- package/lib/mol-canvas3d/passes/postprocessing.js +51 -22
- package/lib/mol-canvas3d/passes/smaa.js +0 -1
- package/lib/mol-canvas3d/passes/wboit.js +0 -1
- package/lib/mol-canvas3d/util.js +0 -1
- package/lib/mol-data/db/column-helpers.js +0 -1
- package/lib/mol-data/db/column.js +0 -1
- package/lib/mol-data/db/database.js +0 -1
- package/lib/mol-data/db/table.js +0 -1
- package/lib/mol-data/db.js +0 -1
- package/lib/mol-data/generic/hash-set.js +0 -1
- package/lib/mol-data/generic/linked-list.js +0 -1
- package/lib/mol-data/generic/unique-array.js +0 -1
- package/lib/mol-data/generic.js +0 -1
- package/lib/mol-data/index.js +0 -1
- package/lib/mol-data/int/impl/interval.js +0 -1
- package/lib/mol-data/int/impl/ordered-set.js +0 -1
- package/lib/mol-data/int/impl/segmentation.js +0 -1
- package/lib/mol-data/int/impl/sorted-array.js +0 -1
- package/lib/mol-data/int/interval.js +0 -1
- package/lib/mol-data/int/linked-index.js +0 -1
- package/lib/mol-data/int/map.js +0 -1
- package/lib/mol-data/int/ordered-set.js +0 -1
- package/lib/mol-data/int/segmentation.js +0 -1
- package/lib/mol-data/int/sorted-array.js +0 -1
- package/lib/mol-data/int/sorted-ranges.js +0 -1
- package/lib/mol-data/int/tuple.js +0 -1
- package/lib/mol-data/int.js +0 -1
- package/lib/mol-data/iterator.js +0 -1
- package/lib/mol-data/util/array.js +0 -1
- package/lib/mol-data/util/buckets.js +0 -1
- package/lib/mol-data/util/chunked-array.js +0 -1
- package/lib/mol-data/util/combination.js +0 -1
- package/lib/mol-data/util/equivalence-classes.js +0 -1
- package/lib/mol-data/util/grouping.js +0 -1
- package/lib/mol-data/util/hash-functions.js +0 -1
- package/lib/mol-data/util/interval-iterator.js +0 -1
- package/lib/mol-data/util/sort.js +0 -1
- package/lib/mol-data/util.js +0 -1
- package/lib/mol-geo/geometry/base.js +0 -1
- package/lib/mol-geo/geometry/clipping-data.js +0 -1
- package/lib/mol-geo/geometry/color-data.js +0 -1
- package/lib/mol-geo/geometry/cylinders/cylinders-builder.js +0 -1
- package/lib/mol-geo/geometry/cylinders/cylinders.d.ts +2 -2
- package/lib/mol-geo/geometry/cylinders/cylinders.js +0 -1
- package/lib/mol-geo/geometry/direct-volume/direct-volume.js +0 -1
- package/lib/mol-geo/geometry/direct-volume/transfer-function.js +0 -1
- package/lib/mol-geo/geometry/geometry.js +0 -1
- package/lib/mol-geo/geometry/image/image.js +0 -1
- package/lib/mol-geo/geometry/lines/lines-builder.js +0 -1
- package/lib/mol-geo/geometry/lines/lines.d.ts +2 -1
- package/lib/mol-geo/geometry/lines/lines.js +2 -3
- package/lib/mol-geo/geometry/marker-data.js +0 -1
- package/lib/mol-geo/geometry/mesh/builder/axes.js +0 -1
- package/lib/mol-geo/geometry/mesh/builder/box.js +0 -1
- package/lib/mol-geo/geometry/mesh/builder/cylinder.js +0 -1
- package/lib/mol-geo/geometry/mesh/builder/ellipsoid.js +0 -1
- package/lib/mol-geo/geometry/mesh/builder/ribbon.js +0 -1
- package/lib/mol-geo/geometry/mesh/builder/sheet.js +0 -1
- package/lib/mol-geo/geometry/mesh/builder/sphere.js +0 -1
- package/lib/mol-geo/geometry/mesh/builder/tube.js +0 -1
- package/lib/mol-geo/geometry/mesh/color-smoothing.js +0 -1
- package/lib/mol-geo/geometry/mesh/laplacian-smoothing.js +0 -1
- package/lib/mol-geo/geometry/mesh/mesh-builder.js +0 -1
- package/lib/mol-geo/geometry/mesh/mesh.js +0 -1
- package/lib/mol-geo/geometry/overpaint-data.js +0 -1
- package/lib/mol-geo/geometry/picking.js +0 -1
- package/lib/mol-geo/geometry/points/points-builder.js +0 -1
- package/lib/mol-geo/geometry/points/points.d.ts +1 -1
- package/lib/mol-geo/geometry/points/points.js +0 -1
- package/lib/mol-geo/geometry/size-data.js +0 -1
- package/lib/mol-geo/geometry/spheres/spheres-builder.js +0 -1
- package/lib/mol-geo/geometry/spheres/spheres.js +0 -1
- package/lib/mol-geo/geometry/substance-data.js +0 -1
- package/lib/mol-geo/geometry/text/font-atlas.js +0 -1
- package/lib/mol-geo/geometry/text/text-builder.js +2 -2
- package/lib/mol-geo/geometry/text/text.js +0 -1
- package/lib/mol-geo/geometry/texture-mesh/color-smoothing.js +0 -1
- package/lib/mol-geo/geometry/texture-mesh/texture-mesh.js +0 -1
- package/lib/mol-geo/geometry/transform-data.js +0 -1
- package/lib/mol-geo/geometry/transparency-data.js +0 -1
- package/lib/mol-geo/primitive/box.js +0 -1
- package/lib/mol-geo/primitive/cage.js +0 -1
- package/lib/mol-geo/primitive/circle.js +0 -1
- package/lib/mol-geo/primitive/cylinder.js +0 -1
- package/lib/mol-geo/primitive/dodecahedron.js +0 -1
- package/lib/mol-geo/primitive/icosahedron.js +0 -1
- package/lib/mol-geo/primitive/octahedron.js +0 -1
- package/lib/mol-geo/primitive/plane.js +0 -1
- package/lib/mol-geo/primitive/polygon.js +0 -1
- package/lib/mol-geo/primitive/polyhedron.js +0 -1
- package/lib/mol-geo/primitive/primitive.js +0 -1
- package/lib/mol-geo/primitive/prism.js +0 -1
- package/lib/mol-geo/primitive/pyramid.js +0 -1
- package/lib/mol-geo/primitive/sphere.js +0 -1
- package/lib/mol-geo/primitive/spiked-ball.js +0 -1
- package/lib/mol-geo/primitive/star.js +0 -1
- package/lib/mol-geo/primitive/tetrahedron.js +0 -1
- package/lib/mol-geo/primitive/torus.js +0 -1
- package/lib/mol-geo/primitive/wedge.js +0 -1
- package/lib/mol-geo/util/location-iterator.js +0 -1
- package/lib/mol-geo/util/marching-cubes/algorithm.js +0 -1
- package/lib/mol-geo/util/marching-cubes/builder.js +0 -1
- package/lib/mol-geo/util/marching-cubes/tables.js +0 -1
- package/lib/mol-geo/util.js +0 -1
- package/lib/mol-gl/commit-queue.js +0 -1
- package/lib/mol-gl/compute/grid3d.js +0 -1
- package/lib/mol-gl/compute/histogram-pyramid/reduction.js +0 -1
- package/lib/mol-gl/compute/histogram-pyramid/sum.js +0 -1
- package/lib/mol-gl/compute/marching-cubes/active-voxels.js +0 -1
- package/lib/mol-gl/compute/marching-cubes/isosurface.js +0 -1
- package/lib/mol-gl/compute/marching-cubes/tables.js +0 -1
- package/lib/mol-gl/compute/util.js +0 -1
- package/lib/mol-gl/object3d.js +0 -1
- package/lib/mol-gl/render-object.js +0 -1
- package/lib/mol-gl/renderable/cylinders.js +0 -1
- package/lib/mol-gl/renderable/direct-volume.js +0 -1
- package/lib/mol-gl/renderable/image.js +0 -1
- package/lib/mol-gl/renderable/lines.js +0 -1
- package/lib/mol-gl/renderable/mesh.js +0 -1
- package/lib/mol-gl/renderable/points.js +0 -1
- package/lib/mol-gl/renderable/schema.js +0 -1
- package/lib/mol-gl/renderable/spheres.js +0 -1
- package/lib/mol-gl/renderable/text.js +0 -1
- package/lib/mol-gl/renderable/texture-mesh.js +0 -1
- package/lib/mol-gl/renderable/util.js +0 -1
- package/lib/mol-gl/renderable.js +0 -1
- package/lib/mol-gl/renderer.js +3 -5
- package/lib/mol-gl/scene.d.ts +2 -1
- package/lib/mol-gl/scene.js +14 -3
- package/lib/mol-gl/shader/chunks/apply-fog.glsl.js +0 -1
- package/lib/mol-gl/shader/chunks/apply-interior-color.glsl.js +0 -1
- package/lib/mol-gl/shader/chunks/apply-light-color.glsl.js +0 -1
- package/lib/mol-gl/shader/chunks/apply-marker-color.glsl.js +0 -1
- package/lib/mol-gl/shader/chunks/assign-clipping-varying.glsl.js +0 -1
- package/lib/mol-gl/shader/chunks/assign-color-varying.glsl.js +0 -1
- package/lib/mol-gl/shader/chunks/assign-group.glsl.js +0 -1
- package/lib/mol-gl/shader/chunks/assign-marker-varying.glsl.js +0 -1
- package/lib/mol-gl/shader/chunks/assign-material-color.glsl.js +0 -1
- package/lib/mol-gl/shader/chunks/assign-position.glsl.js +0 -1
- package/lib/mol-gl/shader/chunks/assign-size.glsl.js +0 -1
- package/lib/mol-gl/shader/chunks/check-picking-alpha.glsl.js +0 -1
- package/lib/mol-gl/shader/chunks/clip-instance.glsl.js +0 -1
- package/lib/mol-gl/shader/chunks/clip-pixel.glsl.js +0 -1
- package/lib/mol-gl/shader/chunks/color-frag-params.glsl.js +0 -1
- package/lib/mol-gl/shader/chunks/color-vert-params.glsl.js +0 -1
- package/lib/mol-gl/shader/chunks/common-clip.glsl.js +0 -1
- package/lib/mol-gl/shader/chunks/common-frag-params.glsl.js +0 -1
- package/lib/mol-gl/shader/chunks/common-vert-params.glsl.js +0 -1
- package/lib/mol-gl/shader/chunks/common.glsl.js +0 -1
- package/lib/mol-gl/shader/chunks/float-to-rgba.glsl.js +0 -1
- package/lib/mol-gl/shader/chunks/light-frag-params.glsl.js +0 -1
- package/lib/mol-gl/shader/chunks/matrix-scale.glsl.js +0 -1
- package/lib/mol-gl/shader/chunks/normal-frag-params.glsl.js +0 -1
- package/lib/mol-gl/shader/chunks/read-from-texture.glsl.js +0 -1
- package/lib/mol-gl/shader/chunks/rgba-to-float.glsl.js +0 -1
- package/lib/mol-gl/shader/chunks/size-vert-params.glsl.js +0 -1
- package/lib/mol-gl/shader/chunks/texture3d-from-1d-trilinear.glsl.js +0 -1
- package/lib/mol-gl/shader/chunks/texture3d-from-2d-linear.glsl.js +0 -1
- package/lib/mol-gl/shader/chunks/texture3d-from-2d-nearest.glsl.js +0 -1
- package/lib/mol-gl/shader/chunks/wboit-write.glsl.js +0 -1
- package/lib/mol-gl/shader/compose.frag.js +0 -1
- package/lib/mol-gl/shader/compute/color-smoothing/accumulate.frag.js +0 -1
- package/lib/mol-gl/shader/compute/color-smoothing/accumulate.vert.js +0 -1
- package/lib/mol-gl/shader/compute/color-smoothing/normalize.frag.js +0 -1
- package/lib/mol-gl/shader/copy.frag.js +0 -1
- package/lib/mol-gl/shader/cylinders.frag.js +0 -1
- package/lib/mol-gl/shader/cylinders.vert.js +0 -1
- package/lib/mol-gl/shader/depth-merge.frag.js +0 -1
- package/lib/mol-gl/shader/direct-volume.frag.js +0 -1
- package/lib/mol-gl/shader/direct-volume.vert.js +0 -1
- package/lib/mol-gl/shader/evaluate-wboit.frag.js +0 -1
- package/lib/mol-gl/shader/fxaa.frag.js +0 -1
- package/lib/mol-gl/shader/gaussian-density.frag.js +0 -1
- package/lib/mol-gl/shader/gaussian-density.vert.js +0 -1
- package/lib/mol-gl/shader/histogram-pyramid/reduction.frag.js +0 -1
- package/lib/mol-gl/shader/histogram-pyramid/sum.frag.js +0 -1
- package/lib/mol-gl/shader/image.frag.js +0 -1
- package/lib/mol-gl/shader/image.vert.js +0 -1
- package/lib/mol-gl/shader/lines.frag.js +0 -1
- package/lib/mol-gl/shader/lines.vert.js +0 -1
- package/lib/mol-gl/shader/marching-cubes/active-voxels.frag.js +0 -1
- package/lib/mol-gl/shader/marching-cubes/isosurface.frag.js +0 -1
- package/lib/mol-gl/shader/marking/edge.frag.js +0 -1
- package/lib/mol-gl/shader/marking/overlay.frag.js +0 -1
- package/lib/mol-gl/shader/mesh.frag.js +0 -1
- package/lib/mol-gl/shader/mesh.vert.js +0 -1
- package/lib/mol-gl/shader/outlines.frag.js +0 -1
- package/lib/mol-gl/shader/points.frag.js +0 -1
- package/lib/mol-gl/shader/points.vert.js +0 -1
- package/lib/mol-gl/shader/postprocessing.frag.d.ts +2 -2
- package/lib/mol-gl/shader/postprocessing.frag.js +2 -3
- package/lib/mol-gl/shader/quad.vert.js +0 -1
- package/lib/mol-gl/shader/smaa/blend.frag.js +0 -1
- package/lib/mol-gl/shader/smaa/blend.vert.js +0 -1
- package/lib/mol-gl/shader/smaa/edges.frag.js +0 -1
- package/lib/mol-gl/shader/smaa/edges.vert.js +0 -1
- package/lib/mol-gl/shader/smaa/weights.frag.js +0 -1
- package/lib/mol-gl/shader/smaa/weights.vert.js +0 -1
- package/lib/mol-gl/shader/spheres.frag.js +0 -1
- package/lib/mol-gl/shader/spheres.vert.js +0 -1
- package/lib/mol-gl/shader/ssao-blur.frag.js +0 -1
- package/lib/mol-gl/shader/ssao.frag.js +0 -1
- package/lib/mol-gl/shader/text.frag.js +0 -1
- package/lib/mol-gl/shader/text.vert.js +0 -1
- package/lib/mol-gl/shader/util/grid3d-template.frag.js +0 -1
- package/lib/mol-gl/shader-code.js +2 -2
- package/lib/mol-gl/webgl/buffer.js +2 -4
- package/lib/mol-gl/webgl/compat.js +0 -1
- package/lib/mol-gl/webgl/context.js +0 -1
- package/lib/mol-gl/webgl/extensions.js +0 -1
- package/lib/mol-gl/webgl/framebuffer.js +0 -1
- package/lib/mol-gl/webgl/program.js +0 -1
- package/lib/mol-gl/webgl/render-item.js +0 -1
- package/lib/mol-gl/webgl/render-target.js +0 -1
- package/lib/mol-gl/webgl/renderbuffer.js +0 -1
- package/lib/mol-gl/webgl/resources.js +0 -1
- package/lib/mol-gl/webgl/shader.js +0 -1
- package/lib/mol-gl/webgl/state.js +0 -1
- package/lib/mol-gl/webgl/texture.d.ts +1 -1
- package/lib/mol-gl/webgl/texture.js +9 -2
- package/lib/mol-gl/webgl/uniform.js +0 -1
- package/lib/mol-gl/webgl/vertex-array.js +0 -1
- package/lib/mol-io/common/ascii.js +0 -1
- package/lib/mol-io/common/binary-cif/array-encoder.js +0 -1
- package/lib/mol-io/common/binary-cif/classifier.js +3 -3
- package/lib/mol-io/common/binary-cif/decoder.js +4 -4
- package/lib/mol-io/common/binary-cif/encoding.js +0 -1
- package/lib/mol-io/common/binary-cif.js +0 -1
- package/lib/mol-io/common/binary.js +0 -1
- package/lib/mol-io/common/file-handle.js +0 -1
- package/lib/mol-io/common/io-buffer.d.ts +206 -0
- package/lib/mol-io/common/io-buffer.js +405 -0
- package/lib/mol-io/common/msgpack/decode.js +0 -1
- package/lib/mol-io/common/msgpack/encode.js +0 -1
- package/lib/mol-io/common/netcdf/reader.d.ts +78 -0
- package/lib/mol-io/common/netcdf/reader.js +456 -0
- package/lib/mol-io/common/simple-buffer.js +0 -1
- package/lib/mol-io/common/typed-array.js +0 -1
- package/lib/mol-io/common/utf8.js +0 -1
- package/lib/mol-io/reader/ccp4/parser.js +0 -1
- package/lib/mol-io/reader/ccp4/schema.js +0 -1
- package/lib/mol-io/reader/cif/binary/field.js +0 -1
- package/lib/mol-io/reader/cif/binary/parser.js +0 -1
- package/lib/mol-io/reader/cif/data-model.js +0 -1
- package/lib/mol-io/reader/cif/schema/bird.d.ts +1 -1
- package/lib/mol-io/reader/cif/schema/bird.js +1 -2
- package/lib/mol-io/reader/cif/schema/ccd-extras.js +0 -1
- package/lib/mol-io/reader/cif/schema/ccd.d.ts +1 -1
- package/lib/mol-io/reader/cif/schema/ccd.js +1 -2
- package/lib/mol-io/reader/cif/schema/cif-core.js +0 -1
- package/lib/mol-io/reader/cif/schema/ddl.js +0 -1
- package/lib/mol-io/reader/cif/schema/density-server.js +0 -1
- package/lib/mol-io/reader/cif/schema/dic.js +0 -1
- package/lib/mol-io/reader/cif/schema/mmcif-extras.js +0 -1
- package/lib/mol-io/reader/cif/schema/mmcif.d.ts +6 -2
- package/lib/mol-io/reader/cif/schema/mmcif.js +5 -2
- package/lib/mol-io/reader/cif/schema.js +0 -1
- package/lib/mol-io/reader/cif/text/parser.js +0 -1
- package/lib/mol-io/reader/cif.js +0 -1
- package/lib/mol-io/reader/common/binary/column.js +0 -1
- package/lib/mol-io/reader/common/text/column/fixed.js +0 -1
- package/lib/mol-io/reader/common/text/column/token.js +0 -1
- package/lib/mol-io/reader/common/text/number-parser.js +0 -1
- package/lib/mol-io/reader/common/text/tokenizer.js +0 -1
- package/lib/mol-io/reader/csv/data-model.js +0 -1
- package/lib/mol-io/reader/csv/field.js +0 -1
- package/lib/mol-io/reader/csv/parser.js +0 -1
- package/lib/mol-io/reader/csv/schema.js +0 -1
- package/lib/mol-io/reader/cube/parser.js +0 -1
- package/lib/mol-io/reader/dcd/parser.js +0 -1
- package/lib/mol-io/reader/dsn6/parser.js +0 -1
- package/lib/mol-io/reader/dsn6/schema.js +0 -1
- package/lib/mol-io/reader/dx/parser.js +0 -1
- package/lib/mol-io/reader/gro/parser.js +0 -1
- package/lib/mol-io/reader/mol/parser.js +0 -1
- package/lib/mol-io/reader/mol2/parser.js +0 -1
- package/lib/mol-io/reader/mol2/schema.js +0 -1
- package/lib/mol-io/reader/nctraj/parser.d.ts +18 -0
- package/lib/mol-io/reader/nctraj/parser.js +97 -0
- package/lib/mol-io/reader/obj/parser.js +0 -1
- package/lib/mol-io/reader/pdb/parser.js +0 -1
- package/lib/mol-io/reader/pdb/schema.js +0 -1
- package/lib/mol-io/reader/ply/parser.js +0 -1
- package/lib/mol-io/reader/ply/schema.js +0 -1
- package/lib/mol-io/reader/prmtop/parser.d.ts +58 -0
- package/lib/mol-io/reader/prmtop/parser.js +168 -0
- package/lib/mol-io/reader/psf/parser.js +0 -1
- package/lib/mol-io/reader/result.js +0 -1
- package/lib/mol-io/reader/sdf/parser-v3-util.js +0 -1
- package/lib/mol-io/reader/sdf/parser.js +0 -1
- package/lib/mol-io/reader/top/parser.d.ts +37 -0
- package/lib/mol-io/reader/top/parser.js +299 -0
- package/lib/mol-io/reader/trr/parser.d.ts +22 -0
- package/lib/mol-io/reader/trr/parser.js +142 -0
- package/lib/mol-io/reader/xtc/parser.js +0 -1
- package/lib/mol-io/reader/xyz/parser.js +0 -1
- package/lib/mol-io/utils/short-string-pool.js +0 -1
- package/lib/mol-io/writer/cif/encoder/binary.js +0 -1
- package/lib/mol-io/writer/cif/encoder/text.js +0 -1
- package/lib/mol-io/writer/cif/encoder/util.js +0 -1
- package/lib/mol-io/writer/cif/encoder.js +2 -2
- package/lib/mol-io/writer/cif.js +0 -1
- package/lib/mol-io/writer/encoder.js +0 -1
- package/lib/mol-io/writer/ligand-encoder.js +0 -1
- package/lib/mol-io/writer/mol/encoder.js +0 -1
- package/lib/mol-io/writer/mol.js +0 -1
- package/lib/mol-io/writer/mol2/encoder.js +0 -1
- package/lib/mol-io/writer/mol2.js +0 -1
- package/lib/mol-io/writer/sdf.js +0 -1
- package/lib/mol-io/writer/writer.js +0 -1
- package/lib/mol-math/approx.js +0 -1
- package/lib/mol-math/easing.js +0 -1
- package/lib/mol-math/geometry/boundary-helper.js +0 -1
- package/lib/mol-math/geometry/boundary.js +0 -1
- package/lib/mol-math/geometry/centroid-helper.js +0 -1
- package/lib/mol-math/geometry/common.js +0 -1
- package/lib/mol-math/geometry/distance-transform.js +0 -1
- package/lib/mol-math/geometry/gaussian-density/cpu.js +0 -1
- package/lib/mol-math/geometry/gaussian-density/gpu.js +0 -1
- package/lib/mol-math/geometry/gaussian-density.js +0 -1
- package/lib/mol-math/geometry/lookup3d/common.js +0 -1
- package/lib/mol-math/geometry/lookup3d/grid.js +0 -1
- package/lib/mol-math/geometry/molecular-surface.js +0 -1
- package/lib/mol-math/geometry/primitives/axes3d.js +0 -1
- package/lib/mol-math/geometry/primitives/box3d.js +0 -1
- package/lib/mol-math/geometry/primitives/sphere3d.js +0 -1
- package/lib/mol-math/geometry/spacegroup/cell.js +0 -1
- package/lib/mol-math/geometry/spacegroup/construction.js +0 -1
- package/lib/mol-math/geometry/spacegroup/tables.js +0 -1
- package/lib/mol-math/geometry/symmetry-operator.js +0 -1
- package/lib/mol-math/geometry.js +0 -1
- package/lib/mol-math/graph/int-adjacency-graph.js +0 -1
- package/lib/mol-math/graph/inter-unit-graph.js +0 -1
- package/lib/mol-math/graph.js +0 -1
- package/lib/mol-math/histogram.js +0 -1
- package/lib/mol-math/interpolate.js +0 -1
- package/lib/mol-math/linear-algebra/3d/common.js +0 -1
- package/lib/mol-math/linear-algebra/3d/mat3.js +0 -1
- package/lib/mol-math/linear-algebra/3d/mat4.js +0 -1
- package/lib/mol-math/linear-algebra/3d/minimize-rmsd.js +0 -1
- package/lib/mol-math/linear-algebra/3d/quat.js +0 -1
- package/lib/mol-math/linear-algebra/3d/vec2.js +0 -1
- package/lib/mol-math/linear-algebra/3d/vec3.js +0 -1
- package/lib/mol-math/linear-algebra/3d/vec4.js +0 -1
- package/lib/mol-math/linear-algebra/3d.js +0 -1
- package/lib/mol-math/linear-algebra/matrix/evd.js +0 -1
- package/lib/mol-math/linear-algebra/matrix/matrix.js +0 -1
- package/lib/mol-math/linear-algebra/matrix/principal-axes.js +0 -1
- package/lib/mol-math/linear-algebra/matrix/svd.js +0 -1
- package/lib/mol-math/linear-algebra/tensor.js +0 -1
- package/lib/mol-math/linear-algebra.js +0 -1
- package/lib/mol-math/misc.js +0 -1
- package/lib/mol-model/custom-property.js +0 -1
- package/lib/mol-model/location.js +0 -1
- package/lib/mol-model/loci.js +0 -1
- package/lib/mol-model/sequence/alignment/alignment.js +0 -1
- package/lib/mol-model/sequence/alignment/sequence.js +0 -1
- package/lib/mol-model/sequence/alignment/substitution-matrix.js +0 -1
- package/lib/mol-model/sequence/alignment.js +0 -1
- package/lib/mol-model/sequence/constants.js +0 -1
- package/lib/mol-model/sequence/sequence.js +2 -2
- package/lib/mol-model/sequence.js +0 -1
- package/lib/mol-model/shape/provider.js +0 -1
- package/lib/mol-model/shape/shape.js +0 -1
- package/lib/mol-model/shape.js +0 -1
- package/lib/mol-model/structure/coordinates/coordinates.js +0 -1
- package/lib/mol-model/structure/coordinates.js +0 -1
- package/lib/mol-model/structure/export/categories/atom_site.js +0 -1
- package/lib/mol-model/structure/export/categories/atom_site_operator_mapping.js +0 -1
- package/lib/mol-model/structure/export/categories/misc.js +0 -1
- package/lib/mol-model/structure/export/categories/secondary-structure.js +0 -1
- package/lib/mol-model/structure/export/categories/sequence.js +0 -1
- package/lib/mol-model/structure/export/categories/utils.js +0 -1
- package/lib/mol-model/structure/export/mmcif.js +0 -1
- package/lib/mol-model/structure/model/indexing.js +0 -1
- package/lib/mol-model/structure/model/model.d.ts +5 -1
- package/lib/mol-model/structure/model/model.js +38 -26
- package/lib/mol-model/structure/model/properties/atomic/bonds.js +0 -1
- package/lib/mol-model/structure/model/properties/atomic/conformation.js +0 -1
- package/lib/mol-model/structure/model/properties/atomic/hierarchy.js +0 -1
- package/lib/mol-model/structure/model/properties/atomic/measures.js +0 -1
- package/lib/mol-model/structure/model/properties/atomic/types.js +0 -1
- package/lib/mol-model/structure/model/properties/atomic.js +0 -1
- package/lib/mol-model/structure/model/properties/coarse/conformation.js +0 -1
- package/lib/mol-model/structure/model/properties/coarse/hierarchy.js +0 -1
- package/lib/mol-model/structure/model/properties/coarse.js +0 -1
- package/lib/mol-model/structure/model/properties/common.js +0 -1
- package/lib/mol-model/structure/model/properties/custom/indexed.js +0 -1
- package/lib/mol-model/structure/model/properties/global-transform.js +0 -1
- package/lib/mol-model/structure/model/properties/seconday-structure.js +0 -1
- package/lib/mol-model/structure/model/properties/sequence.js +0 -1
- package/lib/mol-model/structure/model/properties/symmetry.js +0 -1
- package/lib/mol-model/structure/model/properties/utils/atomic-derived.js +0 -1
- package/lib/mol-model/structure/model/properties/utils/atomic-index.js +0 -1
- package/lib/mol-model/structure/model/properties/utils/atomic-ranges.js +0 -1
- package/lib/mol-model/structure/model/properties/utils/coarse-keys.js +0 -1
- package/lib/mol-model/structure/model/properties/utils/coarse-ranges.js +0 -1
- package/lib/mol-model/structure/model/properties/utils/residue-set.js +0 -1
- package/lib/mol-model/structure/model/types/ions.js +0 -1
- package/lib/mol-model/structure/model/types/lipids.js +0 -1
- package/lib/mol-model/structure/model/types/saccharides.d.ts +8 -0
- package/lib/mol-model/structure/model/types/saccharides.js +8 -0
- package/lib/mol-model/structure/model/types.js +0 -1
- package/lib/mol-model/structure/model/util.js +0 -1
- package/lib/mol-model/structure/model.js +0 -1
- package/lib/mol-model/structure/query/context.js +0 -1
- package/lib/mol-model/structure/query/predicates.js +0 -1
- package/lib/mol-model/structure/query/queries/combinators.js +0 -1
- package/lib/mol-model/structure/query/queries/filters.js +0 -1
- package/lib/mol-model/structure/query/queries/generators.js +0 -1
- package/lib/mol-model/structure/query/queries/internal.js +0 -1
- package/lib/mol-model/structure/query/queries/modifiers.js +0 -1
- package/lib/mol-model/structure/query/query.js +0 -1
- package/lib/mol-model/structure/query/selection.js +0 -1
- package/lib/mol-model/structure/query/utils/builders.js +0 -1
- package/lib/mol-model/structure/query/utils/structure-distance.js +0 -1
- package/lib/mol-model/structure/query/utils/structure-set.js +0 -1
- package/lib/mol-model/structure/query.js +0 -1
- package/lib/mol-model/structure/structure/carbohydrates/compute.js +0 -1
- package/lib/mol-model/structure/structure/carbohydrates/constants.d.ts +1 -1
- package/lib/mol-model/structure/structure/carbohydrates/constants.js +6 -10
- package/lib/mol-model/structure/structure/carbohydrates/data.js +0 -1
- package/lib/mol-model/structure/structure/element/bundle.js +0 -1
- package/lib/mol-model/structure/structure/element/element.js +0 -1
- package/lib/mol-model/structure/structure/element/location.js +0 -1
- package/lib/mol-model/structure/structure/element/loci.js +0 -1
- package/lib/mol-model/structure/structure/element/stats.js +0 -1
- package/lib/mol-model/structure/structure/element/util.js +0 -1
- package/lib/mol-model/structure/structure/element.js +0 -1
- package/lib/mol-model/structure/structure/properties.js +0 -1
- package/lib/mol-model/structure/structure/structure.d.ts +1 -1
- package/lib/mol-model/structure/structure/structure.js +13 -4
- package/lib/mol-model/structure/structure/symmetry.js +0 -1
- package/lib/mol-model/structure/structure/unit/bonds/common.js +0 -1
- package/lib/mol-model/structure/structure/unit/bonds/data.d.ts +2 -1
- package/lib/mol-model/structure/structure/unit/bonds/data.js +1 -2
- package/lib/mol-model/structure/structure/unit/bonds/element-set-intra-bond-cache.js +0 -1
- package/lib/mol-model/structure/structure/unit/bonds/inter-compute.d.ts +1 -0
- package/lib/mol-model/structure/structure/unit/bonds/inter-compute.js +4 -3
- package/lib/mol-model/structure/structure/unit/bonds/intra-compute.js +1 -2
- package/lib/mol-model/structure/structure/unit/bonds.js +0 -1
- package/lib/mol-model/structure/structure/unit/resonance.d.ts +23 -0
- package/lib/mol-model/structure/structure/unit/resonance.js +60 -0
- package/lib/mol-model/structure/structure/unit/rings/compute.js +70 -44
- package/lib/mol-model/structure/structure/unit/rings.js +0 -1
- package/lib/mol-model/structure/structure/unit.d.ts +4 -1
- package/lib/mol-model/structure/structure/unit.js +19 -6
- package/lib/mol-model/structure/structure/util/boundary.js +0 -1
- package/lib/mol-model/structure/structure/util/lookup3d.js +0 -1
- package/lib/mol-model/structure/structure/util/polymer.js +0 -1
- package/lib/mol-model/structure/structure/util/principal-axes.js +0 -1
- package/lib/mol-model/structure/structure/util/subset-builder.js +0 -1
- package/lib/mol-model/structure/structure/util/superposition-sifts-mapping.js +0 -1
- package/lib/mol-model/structure/structure/util/superposition.js +0 -1
- package/lib/mol-model/structure/structure/util/unique-subset-builder.js +0 -1
- package/lib/mol-model/structure/structure/util/unit-transforms.js +0 -1
- package/lib/mol-model/structure/structure.js +0 -1
- package/lib/mol-model/structure/topology/topology.js +0 -1
- package/lib/mol-model/structure/topology.js +0 -1
- package/lib/mol-model/structure/trajectory.js +0 -1
- package/lib/mol-model/structure/util.js +0 -1
- package/lib/mol-model/structure.js +0 -1
- package/lib/mol-model/volume/grid.js +0 -1
- package/lib/mol-model/volume/volume.js +0 -1
- package/lib/mol-model/volume.js +0 -1
- package/lib/mol-model-formats/format.js +0 -1
- package/lib/mol-model-formats/shape/ply.js +0 -1
- package/lib/mol-model-formats/structure/basic/atomic.d.ts +1 -1
- package/lib/mol-model-formats/structure/basic/atomic.js +1 -15
- package/lib/mol-model-formats/structure/basic/coarse.js +0 -1
- package/lib/mol-model-formats/structure/basic/entities.js +0 -1
- package/lib/mol-model-formats/structure/basic/parser.d.ts +1 -1
- package/lib/mol-model-formats/structure/basic/parser.js +1 -2
- package/lib/mol-model-formats/structure/basic/properties.js +0 -1
- package/lib/mol-model-formats/structure/basic/schema.d.ts +2 -2
- package/lib/mol-model-formats/structure/basic/schema.js +7 -3
- package/lib/mol-model-formats/structure/basic/sequence.js +0 -1
- package/lib/mol-model-formats/structure/basic/sort.js +0 -1
- package/lib/mol-model-formats/structure/basic/util.d.ts +33 -2
- package/lib/mol-model-formats/structure/basic/util.js +24 -2
- package/lib/mol-model-formats/structure/cif-core.js +4 -5
- package/lib/mol-model-formats/structure/common/component.d.ts +1 -1
- package/lib/mol-model-formats/structure/common/component.js +7 -4
- package/lib/mol-model-formats/structure/common/entity.js +0 -1
- package/lib/mol-model-formats/structure/common/property.js +0 -1
- package/lib/mol-model-formats/structure/common/util.js +0 -1
- package/lib/mol-model-formats/structure/cube.js +3 -4
- package/lib/mol-model-formats/structure/dcd.js +0 -1
- package/lib/mol-model-formats/structure/gro.js +3 -2
- package/lib/mol-model-formats/structure/mmcif.d.ts +1 -1
- package/lib/mol-model-formats/structure/mmcif.js +4 -3
- package/lib/mol-model-formats/structure/mol.js +3 -4
- package/lib/mol-model-formats/structure/mol2.js +5 -6
- package/lib/mol-model-formats/structure/nctraj.d.ts +9 -0
- package/lib/mol-model-formats/structure/nctraj.js +56 -0
- package/lib/mol-model-formats/structure/pdb/anisotropic.js +0 -1
- package/lib/mol-model-formats/structure/pdb/assembly.js +0 -1
- package/lib/mol-model-formats/structure/pdb/atom-site.js +0 -1
- package/lib/mol-model-formats/structure/pdb/conect.js +0 -1
- package/lib/mol-model-formats/structure/pdb/entity.js +0 -1
- package/lib/mol-model-formats/structure/pdb/secondary-structure.js +0 -1
- package/lib/mol-model-formats/structure/pdb/to-cif.js +0 -1
- package/lib/mol-model-formats/structure/pdb.d.ts +1 -1
- package/lib/mol-model-formats/structure/pdb.js +5 -4
- package/lib/mol-model-formats/structure/prmtop.d.ts +16 -0
- package/lib/mol-model-formats/structure/prmtop.js +144 -0
- package/lib/mol-model-formats/structure/property/anisotropic.js +0 -1
- package/lib/mol-model-formats/structure/property/assembly.js +0 -1
- package/lib/mol-model-formats/structure/property/atoms/chem_comp.js +0 -1
- package/lib/mol-model-formats/structure/property/bonds/chem_comp.d.ts +1 -1
- package/lib/mol-model-formats/structure/property/bonds/chem_comp.js +7 -6
- package/lib/mol-model-formats/structure/property/bonds/index-pair.js +0 -1
- package/lib/mol-model-formats/structure/property/bonds/struct_conn.js +0 -1
- package/lib/mol-model-formats/structure/property/partial-charge.js +0 -1
- package/lib/mol-model-formats/structure/property/secondary-structure.js +0 -1
- package/lib/mol-model-formats/structure/property/symmetry.js +11 -2
- package/lib/mol-model-formats/structure/psf.js +3 -2
- package/lib/mol-model-formats/structure/sdf.js +0 -1
- package/lib/mol-model-formats/structure/top.d.ts +16 -0
- package/lib/mol-model-formats/structure/top.js +186 -0
- package/lib/mol-model-formats/structure/trr.d.ts +9 -0
- package/lib/mol-model-formats/structure/trr.js +42 -0
- package/lib/mol-model-formats/structure/util.d.ts +2 -2
- package/lib/mol-model-formats/structure/util.js +19 -21
- package/lib/mol-model-formats/structure/xtc.js +0 -1
- package/lib/mol-model-formats/structure/xyz.js +2 -3
- package/lib/mol-model-formats/volume/ccp4.js +0 -1
- package/lib/mol-model-formats/volume/cube.js +0 -1
- package/lib/mol-model-formats/volume/density-server.js +0 -1
- package/lib/mol-model-formats/volume/dsn6.js +0 -1
- package/lib/mol-model-formats/volume/dx.js +0 -1
- package/lib/mol-model-formats/volume/property.js +0 -1
- package/lib/mol-model-props/common/custom-element-property.js +0 -1
- package/lib/mol-model-props/common/custom-model-property.js +0 -1
- package/lib/mol-model-props/common/custom-property.js +0 -1
- package/lib/mol-model-props/common/custom-structure-property.js +0 -1
- package/lib/mol-model-props/common/wrapper.js +0 -1
- package/lib/mol-model-props/computed/accessible-surface-area/shrake-rupley/area.js +0 -1
- package/lib/mol-model-props/computed/accessible-surface-area/shrake-rupley/common.js +0 -1
- package/lib/mol-model-props/computed/accessible-surface-area/shrake-rupley/radii.js +0 -1
- package/lib/mol-model-props/computed/accessible-surface-area/shrake-rupley.js +0 -1
- package/lib/mol-model-props/computed/accessible-surface-area.js +0 -1
- package/lib/mol-model-props/computed/chemistry/functional-group.js +0 -1
- package/lib/mol-model-props/computed/chemistry/geometry.js +0 -1
- package/lib/mol-model-props/computed/chemistry/util.js +0 -1
- package/lib/mol-model-props/computed/chemistry/valence-model.js +0 -1
- package/lib/mol-model-props/computed/helix-orientation/helix-orientation.js +0 -1
- package/lib/mol-model-props/computed/helix-orientation.js +0 -1
- package/lib/mol-model-props/computed/interactions/charged.js +0 -1
- package/lib/mol-model-props/computed/interactions/common.js +0 -1
- package/lib/mol-model-props/computed/interactions/contacts-builder.js +0 -1
- package/lib/mol-model-props/computed/interactions/contacts.js +0 -1
- package/lib/mol-model-props/computed/interactions/features.js +0 -1
- package/lib/mol-model-props/computed/interactions/halogen-bonds.js +0 -1
- package/lib/mol-model-props/computed/interactions/hydrogen-bonds.js +0 -1
- package/lib/mol-model-props/computed/interactions/hydrophobic.js +0 -1
- package/lib/mol-model-props/computed/interactions/interactions.js +0 -1
- package/lib/mol-model-props/computed/interactions/metal.js +0 -1
- package/lib/mol-model-props/computed/interactions/refine.js +0 -1
- package/lib/mol-model-props/computed/interactions.js +0 -1
- package/lib/mol-model-props/computed/representations/interactions-inter-unit-cylinder.js +9 -4
- package/lib/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js +10 -6
- package/lib/mol-model-props/computed/representations/interactions.js +0 -1
- package/lib/mol-model-props/computed/secondary-structure/dssp/backbone-hbonds.js +0 -1
- package/lib/mol-model-props/computed/secondary-structure/dssp/bends.js +0 -1
- package/lib/mol-model-props/computed/secondary-structure/dssp/bridges.js +0 -1
- package/lib/mol-model-props/computed/secondary-structure/dssp/common.js +0 -1
- package/lib/mol-model-props/computed/secondary-structure/dssp/dihedral-angles.js +0 -1
- package/lib/mol-model-props/computed/secondary-structure/dssp/helices.js +0 -1
- package/lib/mol-model-props/computed/secondary-structure/dssp/ladders.js +0 -1
- package/lib/mol-model-props/computed/secondary-structure/dssp/protein-info.js +0 -1
- package/lib/mol-model-props/computed/secondary-structure/dssp/sheets.js +0 -1
- package/lib/mol-model-props/computed/secondary-structure/dssp/trace-lookup.js +0 -1
- package/lib/mol-model-props/computed/secondary-structure/dssp/turns.js +0 -1
- package/lib/mol-model-props/computed/secondary-structure/dssp.js +0 -1
- package/lib/mol-model-props/computed/secondary-structure/zhang-skolnik.js +0 -1
- package/lib/mol-model-props/computed/secondary-structure.js +0 -1
- package/lib/mol-model-props/computed/themes/accessible-surface-area.js +0 -1
- package/lib/mol-model-props/computed/themes/interaction-type.js +0 -1
- package/lib/mol-model-props/computed/valence-model.js +0 -1
- package/lib/mol-model-props/integrative/cross-link-restraint/color.js +0 -1
- package/lib/mol-model-props/integrative/cross-link-restraint/format.js +0 -1
- package/lib/mol-model-props/integrative/cross-link-restraint/property.js +0 -1
- package/lib/mol-model-props/integrative/cross-link-restraint/representation.js +10 -2
- package/lib/mol-model-props/integrative/pair-restraints.js +0 -1
- package/lib/mol-model-props/sequence/sifts-mapping.js +0 -1
- package/lib/mol-model-props/sequence/themes/sifts-mapping.js +0 -1
- package/lib/mol-plugin/animation-loop.js +0 -1
- package/lib/mol-plugin/behavior/behavior.js +0 -1
- package/lib/mol-plugin/behavior/dynamic/camera.js +0 -1
- package/lib/mol-plugin/behavior/dynamic/custom-props/computed/accessible-surface-area.js +0 -1
- package/lib/mol-plugin/behavior/dynamic/custom-props/computed/interactions.js +0 -1
- package/lib/mol-plugin/behavior/dynamic/custom-props/computed/secondary-structure.js +0 -1
- package/lib/mol-plugin/behavior/dynamic/custom-props/computed/valence-model.js +0 -1
- package/lib/mol-plugin/behavior/dynamic/custom-props/integrative/cross-link-restraint.js +0 -1
- package/lib/mol-plugin/behavior/dynamic/custom-props/sequence/sifts-mapping.js +0 -1
- package/lib/mol-plugin/behavior/dynamic/custom-props/structure-info.js +0 -1
- package/lib/mol-plugin/behavior/dynamic/custom-props.js +0 -1
- package/lib/mol-plugin/behavior/dynamic/representation.js +4 -5
- package/lib/mol-plugin/behavior/dynamic/selection/structure-focus-representation.js +0 -1
- package/lib/mol-plugin/behavior/dynamic/volume-streaming/behavior.js +0 -1
- package/lib/mol-plugin/behavior/dynamic/volume-streaming/model.d.ts +3 -2
- package/lib/mol-plugin/behavior/dynamic/volume-streaming/model.js +0 -1
- package/lib/mol-plugin/behavior/dynamic/volume-streaming/transformers.js +0 -1
- package/lib/mol-plugin/behavior/dynamic/volume-streaming/util.js +10 -4
- package/lib/mol-plugin/behavior/static/camera.js +0 -1
- package/lib/mol-plugin/behavior/static/misc.js +0 -1
- package/lib/mol-plugin/behavior/static/representation.js +0 -1
- package/lib/mol-plugin/behavior/static/state.js +0 -1
- package/lib/mol-plugin/behavior.js +0 -1
- package/lib/mol-plugin/command.js +0 -1
- package/lib/mol-plugin/commands.d.ts +1 -0
- package/lib/mol-plugin/commands.js +0 -1
- package/lib/mol-plugin/config.js +0 -1
- package/lib/mol-plugin/context.d.ts +2 -1
- package/lib/mol-plugin/context.js +4 -4
- package/lib/mol-plugin/features.js +0 -1
- package/lib/mol-plugin/layout.js +0 -1
- package/lib/mol-plugin/spec.js +1 -2
- package/lib/mol-plugin/state.js +0 -1
- package/lib/mol-plugin/util/substructure-parent-helper.js +0 -1
- package/lib/mol-plugin/util/task-manager.js +0 -1
- package/lib/mol-plugin/util/toast.js +0 -1
- package/lib/mol-plugin/util/viewport-screenshot.js +2 -3
- package/lib/mol-plugin/version.js +2 -2
- package/lib/mol-plugin-state/actions/file.d.ts +1 -1
- package/lib/mol-plugin-state/actions/file.js +88 -56
- package/lib/mol-plugin-state/actions/structure.d.ts +11 -2
- package/lib/mol-plugin-state/actions/structure.js +174 -5
- package/lib/mol-plugin-state/actions/volume.js +3 -3
- package/lib/mol-plugin-state/actions.js +0 -1
- package/lib/mol-plugin-state/animation/built-in/assembly-unwind.js +0 -1
- package/lib/mol-plugin-state/animation/built-in/camera-rock.js +0 -1
- package/lib/mol-plugin-state/animation/built-in/camera-spin.js +0 -1
- package/lib/mol-plugin-state/animation/built-in/explode-units.js +0 -1
- package/lib/mol-plugin-state/animation/built-in/model-index.js +0 -1
- package/lib/mol-plugin-state/animation/built-in/spin-structure.js +0 -1
- package/lib/mol-plugin-state/animation/built-in/state-interpolation.js +0 -1
- package/lib/mol-plugin-state/animation/built-in/state-snapshots.js +0 -1
- package/lib/mol-plugin-state/animation/helpers.js +0 -1
- package/lib/mol-plugin-state/animation/model.js +0 -1
- package/lib/mol-plugin-state/builder/data.js +0 -1
- package/lib/mol-plugin-state/builder/preset-provider.js +0 -1
- package/lib/mol-plugin-state/builder/structure/hierarchy-preset.js +0 -1
- package/lib/mol-plugin-state/builder/structure/hierarchy.js +0 -1
- package/lib/mol-plugin-state/builder/structure/representation-preset.js +2 -3
- package/lib/mol-plugin-state/builder/structure/representation.js +0 -1
- package/lib/mol-plugin-state/builder/structure.js +0 -1
- package/lib/mol-plugin-state/component.js +0 -1
- package/lib/mol-plugin-state/formats/{structure.d.ts → coordinates.d.ts} +34 -18
- package/lib/mol-plugin-state/formats/coordinates.js +67 -0
- package/lib/mol-plugin-state/formats/provider.js +0 -1
- package/lib/mol-plugin-state/formats/registry.d.ts +3 -3
- package/lib/mol-plugin-state/formats/registry.js +13 -9
- package/lib/mol-plugin-state/formats/shape.js +0 -1
- package/lib/mol-plugin-state/formats/topology.d.ts +73 -0
- package/lib/mol-plugin-state/formats/topology.js +84 -0
- package/lib/mol-plugin-state/formats/trajectory.js +0 -1
- package/lib/mol-plugin-state/formats/volume.js +0 -1
- package/lib/mol-plugin-state/helpers/root-structure.js +1 -2
- package/lib/mol-plugin-state/helpers/structure-clipping.js +0 -1
- package/lib/mol-plugin-state/helpers/structure-component.js +2 -2
- package/lib/mol-plugin-state/helpers/structure-overpaint.js +0 -1
- package/lib/mol-plugin-state/helpers/structure-query.js +0 -1
- package/lib/mol-plugin-state/helpers/structure-representation-params.js +0 -1
- package/lib/mol-plugin-state/helpers/structure-selection-query.js +0 -1
- package/lib/mol-plugin-state/helpers/structure-substance.js +0 -1
- package/lib/mol-plugin-state/helpers/structure-transparency.js +0 -1
- package/lib/mol-plugin-state/helpers/volume-representation-params.js +0 -1
- package/lib/mol-plugin-state/manager/animation.js +0 -1
- package/lib/mol-plugin-state/manager/camera.js +0 -1
- package/lib/mol-plugin-state/manager/interactivity.d.ts +5 -3
- package/lib/mol-plugin-state/manager/interactivity.js +0 -1
- package/lib/mol-plugin-state/manager/loci-label.js +0 -1
- package/lib/mol-plugin-state/manager/snapshots.js +4 -5
- package/lib/mol-plugin-state/manager/structure/component.js +0 -1
- package/lib/mol-plugin-state/manager/structure/focus.js +0 -1
- package/lib/mol-plugin-state/manager/structure/hierarchy-state.js +0 -1
- package/lib/mol-plugin-state/manager/structure/hierarchy.js +0 -1
- package/lib/mol-plugin-state/manager/structure/measurement.js +0 -1
- package/lib/mol-plugin-state/manager/structure/selection.js +0 -1
- package/lib/mol-plugin-state/manager/volume/hierarchy-state.js +0 -1
- package/lib/mol-plugin-state/manager/volume/hierarchy.js +0 -1
- package/lib/mol-plugin-state/objects.d.ts +47 -1
- package/lib/mol-plugin-state/objects.js +17 -2
- package/lib/mol-plugin-state/transforms/data.d.ts +6 -0
- package/lib/mol-plugin-state/transforms/data.js +61 -10
- package/lib/mol-plugin-state/transforms/helpers.js +0 -1
- package/lib/mol-plugin-state/transforms/misc.js +0 -1
- package/lib/mol-plugin-state/transforms/model.d.ts +14 -2
- package/lib/mol-plugin-state/transforms/model.js +112 -4
- package/lib/mol-plugin-state/transforms/representation.js +0 -1
- package/lib/mol-plugin-state/transforms/shape.js +0 -1
- package/lib/mol-plugin-state/transforms/volume.js +0 -1
- package/lib/mol-plugin-state/transforms.js +0 -1
- package/lib/mol-plugin-ui/base.js +1 -2
- package/lib/mol-plugin-ui/context.js +0 -1
- package/lib/mol-plugin-ui/controls/action-menu.js +7 -8
- package/lib/mol-plugin-ui/controls/color.js +3 -4
- package/lib/mol-plugin-ui/controls/common.js +10 -11
- package/lib/mol-plugin-ui/controls/icons.js +70 -71
- package/lib/mol-plugin-ui/controls/legend.js +3 -4
- package/lib/mol-plugin-ui/controls/line-graph/line-graph-component.js +1 -2
- package/lib/mol-plugin-ui/controls/line-graph/point-component.js +0 -1
- package/lib/mol-plugin-ui/controls/parameters.js +51 -52
- package/lib/mol-plugin-ui/controls/screenshot.js +2 -3
- package/lib/mol-plugin-ui/controls/slider.js +5 -6
- package/lib/mol-plugin-ui/controls.js +7 -8
- package/lib/mol-plugin-ui/custom/volume.js +4 -5
- package/lib/mol-plugin-ui/hooks/use-behavior.js +0 -1
- package/lib/mol-plugin-ui/index.js +0 -1
- package/lib/mol-plugin-ui/left-panel.d.ts +8 -1
- package/lib/mol-plugin-ui/left-panel.js +33 -13
- package/lib/mol-plugin-ui/plugin.js +10 -11
- package/lib/mol-plugin-ui/sequence/chain.js +0 -1
- package/lib/mol-plugin-ui/sequence/element.js +0 -1
- package/lib/mol-plugin-ui/sequence/hetero.js +0 -1
- package/lib/mol-plugin-ui/sequence/polymer.js +0 -1
- package/lib/mol-plugin-ui/sequence/sequence.d.ts +2 -2
- package/lib/mol-plugin-ui/sequence/sequence.js +6 -8
- package/lib/mol-plugin-ui/sequence/wrapper.js +0 -1
- package/lib/mol-plugin-ui/sequence.js +5 -6
- package/lib/mol-plugin-ui/skin/base/base.scss +32 -32
- package/lib/mol-plugin-ui/skin/base/components/controls-base.scss +333 -333
- package/lib/mol-plugin-ui/skin/base/components/controls.scss +418 -418
- 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 +643 -643
- 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 +128 -127
- 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 +85 -85
- 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.js +0 -1
- package/lib/mol-plugin-ui/state/actions.js +1 -2
- package/lib/mol-plugin-ui/state/animation.js +1 -2
- package/lib/mol-plugin-ui/state/apply-action.js +0 -1
- package/lib/mol-plugin-ui/state/common.js +7 -8
- package/lib/mol-plugin-ui/state/snapshots.js +9 -10
- package/lib/mol-plugin-ui/state/tree.js +14 -15
- package/lib/mol-plugin-ui/state/update-transform.js +1 -2
- package/lib/mol-plugin-ui/structure/components.js +10 -11
- package/lib/mol-plugin-ui/structure/focus.js +1 -2
- package/lib/mol-plugin-ui/structure/generic.js +4 -5
- package/lib/mol-plugin-ui/structure/measurements.js +8 -9
- package/lib/mol-plugin-ui/structure/quick-styles.js +4 -5
- package/lib/mol-plugin-ui/structure/selection.js +7 -8
- package/lib/mol-plugin-ui/structure/source.js +4 -5
- package/lib/mol-plugin-ui/structure/superposition.js +8 -9
- package/lib/mol-plugin-ui/structure/volume.js +4 -5
- package/lib/mol-plugin-ui/task.js +5 -6
- package/lib/mol-plugin-ui/toast.js +4 -5
- package/lib/mol-plugin-ui/viewport/canvas.js +3 -4
- package/lib/mol-plugin-ui/viewport/help.js +8 -9
- package/lib/mol-plugin-ui/viewport/screenshot.js +3 -4
- package/lib/mol-plugin-ui/viewport/simple-settings.js +1 -2
- package/lib/mol-plugin-ui/viewport.js +4 -5
- package/lib/mol-repr/representation.js +0 -1
- package/lib/mol-repr/shape/loci/angle.js +0 -1
- package/lib/mol-repr/shape/loci/common.js +0 -1
- package/lib/mol-repr/shape/loci/dihedral.js +0 -1
- package/lib/mol-repr/shape/loci/distance.js +0 -1
- package/lib/mol-repr/shape/loci/label.js +0 -1
- package/lib/mol-repr/shape/loci/orientation.js +0 -1
- package/lib/mol-repr/shape/loci/plane.js +0 -1
- package/lib/mol-repr/shape/model/unitcell.js +0 -1
- package/lib/mol-repr/shape/representation.js +0 -1
- package/lib/mol-repr/structure/complex-representation.js +0 -1
- package/lib/mol-repr/structure/complex-visual.js +0 -1
- package/lib/mol-repr/structure/params.js +0 -1
- package/lib/mol-repr/structure/registry.js +0 -1
- package/lib/mol-repr/structure/representation/backbone.js +0 -1
- package/lib/mol-repr/structure/representation/ball-and-stick.js +0 -1
- package/lib/mol-repr/structure/representation/carbohydrate.js +0 -1
- package/lib/mol-repr/structure/representation/cartoon.js +0 -1
- package/lib/mol-repr/structure/representation/ellipsoid.js +0 -1
- package/lib/mol-repr/structure/representation/gaussian-surface.js +0 -1
- package/lib/mol-repr/structure/representation/gaussian-volume.js +0 -1
- package/lib/mol-repr/structure/representation/label.js +0 -1
- package/lib/mol-repr/structure/representation/line.d.ts +1 -1
- package/lib/mol-repr/structure/representation/line.js +2 -3
- package/lib/mol-repr/structure/representation/molecular-surface.js +0 -1
- package/lib/mol-repr/structure/representation/orientation.js +0 -1
- package/lib/mol-repr/structure/representation/point.js +0 -1
- package/lib/mol-repr/structure/representation/putty.js +0 -1
- package/lib/mol-repr/structure/representation/spacefill.js +0 -1
- package/lib/mol-repr/structure/representation.js +0 -1
- package/lib/mol-repr/structure/units-representation.js +0 -1
- package/lib/mol-repr/structure/units-visual.js +0 -1
- package/lib/mol-repr/structure/visual/bond-inter-unit-cylinder.d.ts +1 -1
- package/lib/mol-repr/structure/visual/bond-inter-unit-cylinder.js +20 -11
- package/lib/mol-repr/structure/visual/bond-inter-unit-line.d.ts +1 -1
- package/lib/mol-repr/structure/visual/bond-inter-unit-line.js +10 -6
- package/lib/mol-repr/structure/visual/bond-intra-unit-cylinder.d.ts +1 -1
- package/lib/mol-repr/structure/visual/bond-intra-unit-cylinder.js +25 -9
- package/lib/mol-repr/structure/visual/bond-intra-unit-line.d.ts +1 -1
- package/lib/mol-repr/structure/visual/bond-intra-unit-line.js +17 -6
- package/lib/mol-repr/structure/visual/carbohydrate-link-cylinder.js +10 -2
- package/lib/mol-repr/structure/visual/carbohydrate-symbol-mesh.js +0 -1
- package/lib/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.js +10 -2
- package/lib/mol-repr/structure/visual/element-cross.js +0 -1
- package/lib/mol-repr/structure/visual/element-point.d.ts +1 -1
- package/lib/mol-repr/structure/visual/element-point.js +22 -4
- package/lib/mol-repr/structure/visual/element-sphere.js +0 -1
- package/lib/mol-repr/structure/visual/ellipsoid-mesh.js +0 -1
- package/lib/mol-repr/structure/visual/gaussian-density-volume.js +0 -1
- package/lib/mol-repr/structure/visual/gaussian-surface-mesh.js +0 -1
- package/lib/mol-repr/structure/visual/gaussian-surface-wireframe.js +0 -1
- package/lib/mol-repr/structure/visual/label-text.js +0 -1
- package/lib/mol-repr/structure/visual/molecular-surface-mesh.js +0 -1
- package/lib/mol-repr/structure/visual/molecular-surface-wireframe.js +0 -1
- package/lib/mol-repr/structure/visual/nucleotide-block-mesh.js +0 -1
- package/lib/mol-repr/structure/visual/nucleotide-ring-mesh.js +0 -1
- package/lib/mol-repr/structure/visual/orientation-ellipsoid-mesh.js +0 -1
- package/lib/mol-repr/structure/visual/polymer-backbone-cylinder.js +0 -1
- package/lib/mol-repr/structure/visual/polymer-backbone-sphere.js +0 -1
- package/lib/mol-repr/structure/visual/polymer-direction-wedge.js +0 -1
- package/lib/mol-repr/structure/visual/polymer-gap-cylinder.js +0 -1
- package/lib/mol-repr/structure/visual/polymer-trace-mesh.js +0 -1
- package/lib/mol-repr/structure/visual/polymer-tube-mesh.js +0 -1
- package/lib/mol-repr/structure/visual/util/bond.js +0 -1
- package/lib/mol-repr/structure/visual/util/common.js +0 -1
- package/lib/mol-repr/structure/visual/util/element.d.ts +1 -1
- package/lib/mol-repr/structure/visual/util/element.js +13 -8
- package/lib/mol-repr/structure/visual/util/gaussian.js +0 -1
- package/lib/mol-repr/structure/visual/util/link.d.ts +13 -3
- package/lib/mol-repr/structure/visual/util/link.js +55 -7
- package/lib/mol-repr/structure/visual/util/molecular-surface.js +0 -1
- package/lib/mol-repr/structure/visual/util/nucleotide.js +0 -1
- package/lib/mol-repr/structure/visual/util/polymer/backbone.js +0 -1
- package/lib/mol-repr/structure/visual/util/polymer/curve-segment.js +0 -1
- package/lib/mol-repr/structure/visual/util/polymer/gap-iterator.js +0 -1
- package/lib/mol-repr/structure/visual/util/polymer/trace-iterator.js +0 -1
- package/lib/mol-repr/structure/visual/util/polymer.js +0 -1
- package/lib/mol-repr/util.js +0 -1
- package/lib/mol-repr/visual.js +0 -1
- package/lib/mol-repr/volume/direct-volume.js +0 -1
- package/lib/mol-repr/volume/isosurface.js +0 -1
- package/lib/mol-repr/volume/registry.js +0 -1
- package/lib/mol-repr/volume/representation.js +0 -1
- package/lib/mol-repr/volume/slice.js +0 -1
- package/lib/mol-repr/volume/util.js +0 -1
- package/lib/mol-script/compiler.js +0 -1
- package/lib/mol-script/language/builder.d.ts +0 -1
- package/lib/mol-script/language/builder.js +0 -1
- package/lib/mol-script/language/container.js +0 -1
- package/lib/mol-script/language/expression-formatter.js +0 -1
- package/lib/mol-script/language/expression.js +0 -1
- package/lib/mol-script/language/helpers.js +0 -1
- package/lib/mol-script/language/parser.js +7 -5
- package/lib/mol-script/language/symbol-table/core.js +0 -1
- package/lib/mol-script/language/symbol-table/internal.js +0 -1
- package/lib/mol-script/language/symbol-table/structure-query.js +0 -1
- package/lib/mol-script/language/symbol-table.js +0 -1
- package/lib/mol-script/language/symbol.js +0 -1
- package/lib/mol-script/language/type.js +0 -1
- package/lib/mol-script/runtime/environment.js +0 -1
- package/lib/mol-script/runtime/expression.js +0 -1
- package/lib/mol-script/runtime/query/base.js +0 -1
- package/lib/mol-script/runtime/query/compiler.js +0 -1
- package/lib/mol-script/runtime/query/table.js +0 -1
- package/lib/mol-script/runtime/runtime-macro.js +0 -1
- package/lib/mol-script/runtime/symbol.js +0 -1
- package/lib/mol-script/script/mol-script/examples.js +0 -1
- package/lib/mol-script/script/mol-script/parser.js +0 -1
- package/lib/mol-script/script/mol-script/script-macro.js +0 -1
- package/lib/mol-script/script/mol-script/symbols.js +0 -1
- package/lib/mol-script/script/parser.js +0 -1
- package/lib/mol-script/script.js +0 -1
- package/lib/mol-script/util/id-list.js +0 -1
- package/lib/mol-state/action/manager.js +0 -1
- package/lib/mol-state/action.js +0 -1
- package/lib/mol-state/index.js +0 -1
- package/lib/mol-state/object.js +0 -1
- package/lib/mol-state/state/builder.js +0 -1
- package/lib/mol-state/state/selection.js +0 -1
- package/lib/mol-state/state.js +0 -1
- package/lib/mol-state/transform.js +0 -1
- package/lib/mol-state/transformer.js +0 -1
- package/lib/mol-state/tree/immutable.js +0 -1
- package/lib/mol-state/tree/spine.js +0 -1
- package/lib/mol-state/tree/transient.js +0 -1
- package/lib/mol-state/tree.js +0 -1
- package/lib/mol-task/execution/observable.js +0 -1
- package/lib/mol-task/execution/progress.js +0 -1
- package/lib/mol-task/execution/runtime-context.js +0 -1
- package/lib/mol-task/execution/synchronous.js +0 -1
- package/lib/mol-task/index.js +0 -1
- package/lib/mol-task/task.js +0 -1
- package/lib/mol-task/util/chunked.js +0 -1
- package/lib/mol-task/util/multistep.js +0 -1
- package/lib/mol-task/util/scheduler.d.ts +2 -2
- package/lib/mol-task/util/scheduler.js +7 -8
- package/lib/mol-task/util/user-timing.js +0 -1
- package/lib/mol-theme/clipping.js +0 -1
- package/lib/mol-theme/color/atom-id.js +0 -1
- package/lib/mol-theme/color/carbohydrate-symbol.js +0 -1
- package/lib/mol-theme/color/chain-id.js +0 -1
- package/lib/mol-theme/color/element-index.js +0 -1
- package/lib/mol-theme/color/element-symbol.js +0 -1
- package/lib/mol-theme/color/entity-id.js +0 -1
- package/lib/mol-theme/color/entity-source.js +0 -1
- package/lib/mol-theme/color/hydrophobicity.js +2 -3
- package/lib/mol-theme/color/illustrative.js +0 -1
- package/lib/mol-theme/color/model-index.js +0 -1
- package/lib/mol-theme/color/molecule-type.js +0 -1
- package/lib/mol-theme/color/occupancy.js +0 -1
- package/lib/mol-theme/color/operator-hkl.js +0 -1
- package/lib/mol-theme/color/operator-name.js +0 -1
- package/lib/mol-theme/color/partial-charge.js +0 -1
- package/lib/mol-theme/color/polymer-id.js +0 -1
- package/lib/mol-theme/color/polymer-index.js +0 -1
- package/lib/mol-theme/color/residue-name.js +0 -1
- package/lib/mol-theme/color/secondary-structure.js +0 -1
- package/lib/mol-theme/color/sequence-id.js +0 -1
- package/lib/mol-theme/color/shape-group.js +0 -1
- package/lib/mol-theme/color/uncertainty.js +0 -1
- package/lib/mol-theme/color/uniform.js +0 -1
- package/lib/mol-theme/color/unit-index.js +0 -1
- package/lib/mol-theme/color/volume-value.js +0 -1
- package/lib/mol-theme/color.js +0 -1
- package/lib/mol-theme/label.js +0 -1
- package/lib/mol-theme/overpaint.js +0 -1
- package/lib/mol-theme/size/physical.js +0 -1
- package/lib/mol-theme/size/shape-group.js +0 -1
- package/lib/mol-theme/size/uncertainty.js +0 -1
- package/lib/mol-theme/size/uniform.js +0 -1
- package/lib/mol-theme/size.js +0 -1
- package/lib/mol-theme/substance.js +0 -1
- package/lib/mol-theme/theme.js +0 -1
- package/lib/mol-theme/transparency.js +0 -1
- package/lib/mol-util/array.js +0 -1
- package/lib/mol-util/assets.js +0 -1
- package/lib/mol-util/async-queue.js +0 -1
- package/lib/mol-util/binding.js +0 -1
- package/lib/mol-util/bit-flags.js +0 -1
- package/lib/mol-util/clip.js +0 -1
- package/lib/mol-util/color/color.js +0 -1
- package/lib/mol-util/color/distinct.js +0 -1
- package/lib/mol-util/color/index.js +0 -1
- package/lib/mol-util/color/lists.js +0 -1
- package/lib/mol-util/color/names.js +0 -1
- package/lib/mol-util/color/palette.js +0 -1
- package/lib/mol-util/color/params.js +0 -1
- package/lib/mol-util/color/scale.js +0 -1
- package/lib/mol-util/color/spaces/hcl.js +0 -1
- package/lib/mol-util/color/spaces/lab.js +0 -1
- package/lib/mol-util/color/swatches.js +0 -1
- package/lib/mol-util/console-logger.js +0 -1
- package/lib/mol-util/data-source.js +2 -2
- package/lib/mol-util/date.js +0 -1
- package/lib/mol-util/debug.js +0 -1
- package/lib/mol-util/download.js +0 -1
- package/lib/mol-util/file-info.d.ts +1 -3
- package/lib/mol-util/file-info.js +2 -11
- package/lib/mol-util/graphql-client.js +0 -1
- package/lib/mol-util/id-factory.js +0 -1
- package/lib/mol-util/image.js +0 -1
- package/lib/mol-util/index.d.ts +1 -0
- package/lib/mol-util/index.js +5 -1
- package/lib/mol-util/input/event-offset.js +0 -1
- package/lib/mol-util/input/input-observer.js +0 -1
- package/lib/mol-util/is-little-endian.js +0 -1
- package/lib/mol-util/legend.js +0 -1
- package/lib/mol-util/log-entry.js +0 -1
- package/lib/mol-util/lru-cache.js +0 -1
- package/lib/mol-util/make-dir.js +0 -1
- package/lib/mol-util/map.js +0 -1
- package/lib/mol-util/marker-action.js +0 -1
- package/lib/mol-util/mask.js +0 -1
- package/lib/mol-util/material.js +0 -1
- package/lib/mol-util/memoize.js +0 -1
- package/lib/mol-util/monadic-parser.js +0 -1
- package/lib/mol-util/now.js +0 -1
- package/lib/mol-util/number-packing.js +0 -1
- package/lib/mol-util/number.js +0 -1
- package/lib/mol-util/object.js +0 -1
- package/lib/mol-util/param-definition.js +0 -1
- package/lib/mol-util/param-mapping.js +0 -1
- package/lib/mol-util/performance-monitor.js +0 -1
- package/lib/mol-util/polyfill.js +0 -1
- package/lib/mol-util/read.js +0 -1
- package/lib/mol-util/reference-cache.js +0 -1
- package/lib/mol-util/retry-if.js +0 -1
- package/lib/mol-util/rx-event-helper.js +0 -1
- package/lib/mol-util/set.js +0 -1
- package/lib/mol-util/sleep.js +0 -1
- package/lib/mol-util/string-builder.js +0 -1
- package/lib/mol-util/string.js +0 -1
- package/lib/mol-util/type-helpers.js +0 -1
- package/lib/mol-util/url.js +0 -1
- package/lib/mol-util/uuid.js +0 -1
- package/lib/mol-util/value-cell.js +0 -1
- package/lib/mol-util/zip/bin.js +0 -1
- package/lib/mol-util/zip/checksum.js +0 -1
- package/lib/mol-util/zip/deflate.js +2 -2
- package/lib/mol-util/zip/huffman.js +0 -1
- package/lib/mol-util/zip/inflate.js +0 -1
- package/lib/mol-util/zip/util.js +0 -1
- package/lib/mol-util/zip/zip.d.ts +7 -1
- package/lib/mol-util/zip/zip.js +5 -2
- package/lib/servers/common/file-handle.js +0 -1
- package/lib/servers/common/swagger-ui/index.js +0 -1
- package/lib/servers/common/swagger-ui/indexTemplate.js +0 -1
- package/lib/servers/common/util.js +0 -1
- package/lib/servers/model/config.d.ts +2 -2
- package/lib/servers/model/config.js +0 -1
- package/lib/servers/model/preprocess/converter.js +0 -1
- package/lib/servers/model/preprocess/master.js +0 -1
- package/lib/servers/model/preprocess/parallel.js +0 -1
- package/lib/servers/model/preprocess/preprocess.js +0 -1
- package/lib/servers/model/preprocess/util.js +0 -1
- package/lib/servers/model/preprocess.js +0 -1
- package/lib/servers/model/properties/pdbe.js +0 -1
- package/lib/servers/model/properties/providers/pdbe.js +0 -1
- package/lib/servers/model/properties/providers/wwpdb.js +0 -1
- package/lib/servers/model/properties/wwpdb.js +0 -1
- package/lib/servers/model/property-provider.js +0 -1
- package/lib/servers/model/query/atoms.js +0 -1
- package/lib/servers/model/query/schemas.js +0 -1
- package/lib/servers/model/query.js +0 -1
- package/lib/servers/model/server/api-local.js +0 -1
- package/lib/servers/model/server/api-schema.js +0 -1
- package/lib/servers/model/server/api-web-multiple.js +0 -1
- package/lib/servers/model/server/api-web.js +0 -1
- package/lib/servers/model/server/api.js +0 -1
- package/lib/servers/model/server/cache.js +0 -1
- package/lib/servers/model/server/jobs.js +0 -1
- package/lib/servers/model/server/query.js +0 -1
- package/lib/servers/model/server/structure-wrapper.js +0 -1
- package/lib/servers/model/server.js +0 -1
- package/lib/servers/model/test.js +0 -1
- package/lib/servers/model/utils/fetch-props-pdbe.js +0 -1
- package/lib/servers/model/utils/fetch-retry.js +0 -1
- package/lib/servers/model/utils/tar.js +0 -1
- package/lib/servers/model/utils/writer.js +0 -1
- package/lib/servers/model/version.js +0 -1
- package/lib/servers/plugin-state/api-schema.js +0 -1
- package/lib/servers/plugin-state/config.js +0 -1
- package/lib/servers/plugin-state/index.js +0 -1
- package/lib/servers/plugin-state/version.js +0 -1
- package/lib/servers/volume/common/binary-schema.js +0 -1
- package/lib/servers/volume/common/data-format.js +0 -1
- package/lib/servers/volume/common/file.js +0 -1
- package/lib/servers/volume/config.js +0 -1
- package/lib/servers/volume/pack/data-model.js +0 -1
- package/lib/servers/volume/pack/downsampling.js +0 -1
- package/lib/servers/volume/pack/format/ccp4.js +0 -1
- package/lib/servers/volume/pack/format/dsn6.js +0 -1
- package/lib/servers/volume/pack/format.js +0 -1
- package/lib/servers/volume/pack/main.js +0 -1
- package/lib/servers/volume/pack/sampling.js +0 -1
- package/lib/servers/volume/pack/version.js +0 -1
- package/lib/servers/volume/pack/writer.js +0 -1
- package/lib/servers/volume/pack.js +0 -1
- package/lib/servers/volume/query.js +0 -1
- package/lib/servers/volume/server/algebra/box.js +0 -1
- package/lib/servers/volume/server/algebra/coordinate.js +0 -1
- package/lib/servers/volume/server/api.js +0 -1
- package/lib/servers/volume/server/local-api.js +0 -1
- package/lib/servers/volume/server/query/compose.js +0 -1
- package/lib/servers/volume/server/query/data-model.js +0 -1
- package/lib/servers/volume/server/query/encode.js +0 -1
- package/lib/servers/volume/server/query/execute.js +0 -1
- package/lib/servers/volume/server/query/identify.js +0 -1
- package/lib/servers/volume/server/state.js +0 -1
- package/lib/servers/volume/server/version.js +0 -1
- package/lib/servers/volume/server/web-api.js +0 -1
- package/lib/servers/volume/server/web-schema.js +0 -1
- package/lib/servers/volume/server.js +0 -1
- package/package.json +160 -160
- package/lib/commonjs/mol-plugin-state/formats/structure.js +0 -65
- package/lib/mol-plugin-state/formats/structure.js +0 -62
|
@@ -13,10 +13,10 @@ var int_1 = require("../../../../mol-data/int");
|
|
|
13
13
|
var loci_1 = require("../../../../mol-model/loci");
|
|
14
14
|
var location_iterator_1 = require("../../../../mol-geo/util/location-iterator");
|
|
15
15
|
var common_1 = require("./common");
|
|
16
|
-
|
|
17
|
-
|
|
18
|
-
|
|
19
|
-
|
|
16
|
+
tslib_1.__exportStar(require("./polymer/backbone"), exports);
|
|
17
|
+
tslib_1.__exportStar(require("./polymer/gap-iterator"), exports);
|
|
18
|
+
tslib_1.__exportStar(require("./polymer/trace-iterator"), exports);
|
|
19
|
+
tslib_1.__exportStar(require("./polymer/curve-segment"), exports);
|
|
20
20
|
exports.StandardTension = 0.5;
|
|
21
21
|
exports.HelixTension = 0.9;
|
|
22
22
|
exports.StandardShift = 0.5;
|
|
@@ -266,4 +266,3 @@ function eachPolymerGapElement(loci, structureGroup, apply) {
|
|
|
266
266
|
return changed;
|
|
267
267
|
}
|
|
268
268
|
exports.eachPolymerGapElement = eachPolymerGapElement;
|
|
269
|
-
//# sourceMappingURL=polymer.js.map
|
|
@@ -47,7 +47,7 @@ exports.DefaultQualityThresholds = {
|
|
|
47
47
|
};
|
|
48
48
|
function getStructureQuality(structure, tresholds) {
|
|
49
49
|
if (tresholds === void 0) { tresholds = {}; }
|
|
50
|
-
var t =
|
|
50
|
+
var t = tslib_1.__assign(tslib_1.__assign({}, exports.DefaultQualityThresholds), tresholds);
|
|
51
51
|
var score = structure.elementCount * t.elementCountFactor;
|
|
52
52
|
if (structure.isCoarseGrained)
|
|
53
53
|
score *= t.coarseGrainedFactor;
|
|
@@ -182,4 +182,3 @@ function getQualityProps(props, data) {
|
|
|
182
182
|
};
|
|
183
183
|
}
|
|
184
184
|
exports.getQualityProps = getQualityProps;
|
|
185
|
-
//# sourceMappingURL=util.js.map
|
|
@@ -74,9 +74,9 @@ function createDirectVolume3d(ctx, webgl, volume, directVolume) {
|
|
|
74
74
|
exports.createDirectVolume3d = createDirectVolume3d;
|
|
75
75
|
//
|
|
76
76
|
function createDirectVolume(ctx, volume, theme, props, directVolume) {
|
|
77
|
-
return
|
|
77
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
78
78
|
var runtime, webgl;
|
|
79
|
-
return
|
|
79
|
+
return tslib_1.__generator(this, function (_a) {
|
|
80
80
|
runtime = ctx.runtime, webgl = ctx.webgl;
|
|
81
81
|
if (webgl === undefined)
|
|
82
82
|
throw new Error('DirectVolumeVisual requires `webgl` in props');
|
|
@@ -103,7 +103,7 @@ function eachDirectVolume(loci, volume, props, apply) {
|
|
|
103
103
|
}
|
|
104
104
|
exports.eachDirectVolume = eachDirectVolume;
|
|
105
105
|
//
|
|
106
|
-
exports.DirectVolumeParams =
|
|
106
|
+
exports.DirectVolumeParams = tslib_1.__assign(tslib_1.__assign({}, direct_volume_1.DirectVolume.Params), { quality: tslib_1.__assign(tslib_1.__assign({}, direct_volume_1.DirectVolume.Params.quality), { isEssential: false }) });
|
|
107
107
|
function getDirectVolumeParams(ctx, volume) {
|
|
108
108
|
return param_definition_1.ParamDefinition.clone(exports.DirectVolumeParams);
|
|
109
109
|
}
|
|
@@ -139,4 +139,3 @@ exports.DirectVolumeRepresentationProvider = (0, representation_1.VolumeRepresen
|
|
|
139
139
|
defaultSizeTheme: { name: 'uniform' },
|
|
140
140
|
isApplicable: function (volume) { return !volume_1.Volume.isEmpty(volume); }
|
|
141
141
|
});
|
|
142
|
-
//# sourceMappingURL=direct-volume.js.map
|
|
@@ -66,9 +66,9 @@ function eachIsosurface(loci, volume, props, apply) {
|
|
|
66
66
|
exports.eachIsosurface = eachIsosurface;
|
|
67
67
|
//
|
|
68
68
|
function createVolumeIsosurfaceMesh(ctx, volume, theme, props, mesh) {
|
|
69
|
-
return
|
|
69
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
70
70
|
var ids, surface, transform;
|
|
71
|
-
return
|
|
71
|
+
return tslib_1.__generator(this, function (_a) {
|
|
72
72
|
switch (_a.label) {
|
|
73
73
|
case 0:
|
|
74
74
|
ctx.runtime.update({ message: 'Marching cubes...' });
|
|
@@ -94,7 +94,7 @@ function createVolumeIsosurfaceMesh(ctx, volume, theme, props, mesh) {
|
|
|
94
94
|
});
|
|
95
95
|
}
|
|
96
96
|
exports.createVolumeIsosurfaceMesh = createVolumeIsosurfaceMesh;
|
|
97
|
-
exports.IsosurfaceMeshParams =
|
|
97
|
+
exports.IsosurfaceMeshParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, mesh_1.Mesh.Params), texture_mesh_1.TextureMesh.Params), exports.VolumeIsosurfaceParams), { quality: tslib_1.__assign(tslib_1.__assign({}, mesh_1.Mesh.Params.quality), { isEssential: false }), tryUseGpu: param_definition_1.ParamDefinition.Boolean(true) });
|
|
98
98
|
function IsosurfaceMeshVisual(materialId) {
|
|
99
99
|
return (0, representation_1.VolumeVisual)({
|
|
100
100
|
defaultProps: param_definition_1.ParamDefinition.getDefaultValues(exports.IsosurfaceMeshParams),
|
|
@@ -151,9 +151,9 @@ var VolumeIsosurfaceTexture;
|
|
|
151
151
|
VolumeIsosurfaceTexture.get = get;
|
|
152
152
|
})(VolumeIsosurfaceTexture || (VolumeIsosurfaceTexture = {}));
|
|
153
153
|
function createVolumeIsosurfaceTextureMesh(ctx, volume, theme, props, textureMesh) {
|
|
154
|
-
return
|
|
154
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
155
155
|
var _a, max, min, diff, value, isoLevel, _b, texture, gridDimension, gridTexDim, gridTexScale, transform, axisOrder, buffer, gv, surface;
|
|
156
|
-
return
|
|
156
|
+
return tslib_1.__generator(this, function (_c) {
|
|
157
157
|
if (!ctx.webgl)
|
|
158
158
|
throw new Error('webgl context required to create volume isosurface texture-mesh');
|
|
159
159
|
if (volume.grid.cells.data.length <= 1) {
|
|
@@ -198,9 +198,9 @@ function IsosurfaceTextureMeshVisual(materialId) {
|
|
|
198
198
|
exports.IsosurfaceTextureMeshVisual = IsosurfaceTextureMeshVisual;
|
|
199
199
|
//
|
|
200
200
|
function createVolumeIsosurfaceWireframe(ctx, volume, theme, props, lines) {
|
|
201
|
-
return
|
|
201
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
202
202
|
var ids, wireframe, transform;
|
|
203
|
-
return
|
|
203
|
+
return tslib_1.__generator(this, function (_a) {
|
|
204
204
|
switch (_a.label) {
|
|
205
205
|
case 0:
|
|
206
206
|
ctx.runtime.update({ message: 'Marching cubes...' });
|
|
@@ -221,7 +221,7 @@ function createVolumeIsosurfaceWireframe(ctx, volume, theme, props, lines) {
|
|
|
221
221
|
});
|
|
222
222
|
}
|
|
223
223
|
exports.createVolumeIsosurfaceWireframe = createVolumeIsosurfaceWireframe;
|
|
224
|
-
exports.IsosurfaceWireframeParams =
|
|
224
|
+
exports.IsosurfaceWireframeParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, lines_1.Lines.Params), exports.VolumeIsosurfaceParams), { quality: tslib_1.__assign(tslib_1.__assign({}, lines_1.Lines.Params.quality), { isEssential: false }), sizeFactor: param_definition_1.ParamDefinition.Numeric(3, { min: 0, max: 10, step: 0.1 }) });
|
|
225
225
|
function IsosurfaceWireframeVisual(materialId) {
|
|
226
226
|
return (0, representation_1.VolumeVisual)({
|
|
227
227
|
defaultProps: param_definition_1.ParamDefinition.getDefaultValues(exports.IsosurfaceWireframeParams),
|
|
@@ -242,7 +242,7 @@ var IsosurfaceVisuals = {
|
|
|
242
242
|
'solid': function (ctx, getParams) { return (0, representation_1.VolumeRepresentation)('Isosurface mesh', ctx, getParams, IsosurfaceVisual, getLoci); },
|
|
243
243
|
'wireframe': function (ctx, getParams) { return (0, representation_1.VolumeRepresentation)('Isosurface wireframe', ctx, getParams, IsosurfaceWireframeVisual, getLoci); },
|
|
244
244
|
};
|
|
245
|
-
exports.IsosurfaceParams =
|
|
245
|
+
exports.IsosurfaceParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, exports.IsosurfaceMeshParams), exports.IsosurfaceWireframeParams), { visuals: param_definition_1.ParamDefinition.MultiSelect(['solid'], param_definition_1.ParamDefinition.objectToOptions(IsosurfaceVisuals)), bumpFrequency: param_definition_1.ParamDefinition.Numeric(1, { min: 0, max: 10, step: 0.1 }, base_1.BaseGeometry.ShadingCategory) });
|
|
246
246
|
function getIsosurfaceParams(ctx, volume) {
|
|
247
247
|
var p = param_definition_1.ParamDefinition.clone(exports.IsosurfaceParams);
|
|
248
248
|
p.isoValue = volume_1.Volume.createIsoValueParam(volume_1.Volume.IsoValue.relative(2), volume.grid.stats);
|
|
@@ -264,4 +264,3 @@ exports.IsosurfaceRepresentationProvider = (0, representation_1.VolumeRepresenta
|
|
|
264
264
|
defaultSizeTheme: { name: 'uniform' },
|
|
265
265
|
isApplicable: function (volume) { return !volume_1.Volume.isEmpty(volume); }
|
|
266
266
|
});
|
|
267
|
-
//# sourceMappingURL=isosurface.js.map
|
|
@@ -13,7 +13,7 @@ var object_1 = require("../../mol-util/object");
|
|
|
13
13
|
var slice_1 = require("./slice");
|
|
14
14
|
var direct_volume_1 = require("./direct-volume");
|
|
15
15
|
var VolumeRepresentationRegistry = /** @class */ (function (_super) {
|
|
16
|
-
|
|
16
|
+
tslib_1.__extends(VolumeRepresentationRegistry, _super);
|
|
17
17
|
function VolumeRepresentationRegistry() {
|
|
18
18
|
var _this = _super.call(this) || this;
|
|
19
19
|
(0, object_1.objectForEach)(VolumeRepresentationRegistry.BuiltIn, function (p, k) {
|
|
@@ -34,4 +34,3 @@ exports.VolumeRepresentationRegistry = VolumeRepresentationRegistry;
|
|
|
34
34
|
};
|
|
35
35
|
})(VolumeRepresentationRegistry = exports.VolumeRepresentationRegistry || (exports.VolumeRepresentationRegistry = {}));
|
|
36
36
|
exports.VolumeRepresentationRegistry = VolumeRepresentationRegistry;
|
|
37
|
-
//# sourceMappingURL=registry.js.map
|
|
@@ -136,9 +136,9 @@ function VolumeVisual(builder, materialId) {
|
|
|
136
136
|
get geometryVersion() { return geometryVersion; },
|
|
137
137
|
createOrUpdate: function (ctx, theme, props, volume) {
|
|
138
138
|
if (props === void 0) { props = {}; }
|
|
139
|
-
return
|
|
139
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
140
140
|
var newGeometry;
|
|
141
|
-
return
|
|
141
|
+
return tslib_1.__generator(this, function (_a) {
|
|
142
142
|
prepareUpdate(theme, props, volume || currentVolume);
|
|
143
143
|
if (updateState.createGeometry) {
|
|
144
144
|
newGeometry = createGeometry(ctx, newVolume, newTheme, newProps, geometry);
|
|
@@ -198,7 +198,7 @@ exports.VolumeVisual = VolumeVisual;
|
|
|
198
198
|
function VolumeRepresentationProvider(p) { return p; }
|
|
199
199
|
exports.VolumeRepresentationProvider = VolumeRepresentationProvider;
|
|
200
200
|
//
|
|
201
|
-
exports.VolumeParams =
|
|
201
|
+
exports.VolumeParams = tslib_1.__assign({}, base_1.BaseGeometry.Params);
|
|
202
202
|
function VolumeRepresentation(label, ctx, getParams, visualCtor, getLoci) {
|
|
203
203
|
var version = 0;
|
|
204
204
|
var webgl = ctx.webgl;
|
|
@@ -223,10 +223,10 @@ function VolumeRepresentation(label, ctx, getParams, visualCtor, getLoci) {
|
|
|
223
223
|
}
|
|
224
224
|
var qualityProps = (0, util_1.getQualityProps)(Object.assign({}, _props, props), _volume);
|
|
225
225
|
Object.assign(_props, props, qualityProps);
|
|
226
|
-
return mol_task_1.Task.create('Creating or updating VolumeRepresentation', function (runtime) { return
|
|
226
|
+
return mol_task_1.Task.create('Creating or updating VolumeRepresentation', function (runtime) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
|
|
227
227
|
var promise;
|
|
228
228
|
var _a;
|
|
229
|
-
return
|
|
229
|
+
return tslib_1.__generator(this, function (_b) {
|
|
230
230
|
switch (_b.label) {
|
|
231
231
|
case 0:
|
|
232
232
|
if (!visual) {
|
|
@@ -307,4 +307,3 @@ function VolumeRepresentation(label, ctx, getParams, visualCtor, getLoci) {
|
|
|
307
307
|
};
|
|
308
308
|
}
|
|
309
309
|
exports.VolumeRepresentation = VolumeRepresentation;
|
|
310
|
-
//# sourceMappingURL=representation.js.map
|
|
@@ -21,9 +21,9 @@ var color_2 = require("../../mol-theme/color");
|
|
|
21
21
|
var number_packing_1 = require("../../mol-util/number-packing");
|
|
22
22
|
var util_2 = require("./util");
|
|
23
23
|
function createImage(ctx, volume, theme, props, image) {
|
|
24
|
-
return
|
|
24
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
25
25
|
var dim, isoValue, _a, space, data, _b, min, max, isoVal, color, _c, r, g, b, _d, width, height, x, y, z, x0, y0, z0, nx, ny, nz, corners, imageArray, groupArray, i, iy, ix, iz, val, normVal, imageTexture, groupTexture, transform;
|
|
26
|
-
return
|
|
26
|
+
return tslib_1.__generator(this, function (_e) {
|
|
27
27
|
dim = props.dimension.name, isoValue = props.isoValue;
|
|
28
28
|
_a = volume.grid.cells, space = _a.space, data = _a.data;
|
|
29
29
|
_b = volume.grid.stats, min = _b.min, max = _b.max;
|
|
@@ -141,7 +141,7 @@ function eachSlice(loci, volume, props, apply) {
|
|
|
141
141
|
return (0, util_2.eachVolumeLoci)(loci, volume, undefined, apply);
|
|
142
142
|
}
|
|
143
143
|
//
|
|
144
|
-
exports.SliceParams =
|
|
144
|
+
exports.SliceParams = tslib_1.__assign(tslib_1.__assign({}, image_1.Image.Params), { quality: tslib_1.__assign(tslib_1.__assign({}, image_1.Image.Params.quality), { isEssential: false }), dimension: param_definition_1.ParamDefinition.MappedStatic('x', {
|
|
145
145
|
x: param_definition_1.ParamDefinition.Numeric(0, { min: 0, max: 0, step: 1 }),
|
|
146
146
|
y: param_definition_1.ParamDefinition.Numeric(0, { min: 0, max: 0, step: 1 }),
|
|
147
147
|
z: param_definition_1.ParamDefinition.Numeric(0, { min: 0, max: 0, step: 1 }),
|
|
@@ -171,7 +171,7 @@ function SliceVisual(materialId) {
|
|
|
171
171
|
!volume_1.Volume.IsoValue.areSame(newProps.isoValue, currentProps.isoValue, volume.grid.stats) ||
|
|
172
172
|
!color_2.ColorTheme.areEqual(newTheme.color, currentTheme.color));
|
|
173
173
|
},
|
|
174
|
-
geometryUtils:
|
|
174
|
+
geometryUtils: tslib_1.__assign(tslib_1.__assign({}, image_1.Image.Utils), { createRenderableState: function (props) {
|
|
175
175
|
var state = image_1.Image.Utils.createRenderableState(props);
|
|
176
176
|
updateRenderableState(state, props);
|
|
177
177
|
return state;
|
|
@@ -199,4 +199,3 @@ exports.SliceRepresentationProvider = (0, representation_1.VolumeRepresentationP
|
|
|
199
199
|
defaultSizeTheme: { name: 'uniform' },
|
|
200
200
|
isApplicable: function (volume) { return !volume_1.Volume.isEmpty(volume); }
|
|
201
201
|
});
|
|
202
|
-
//# sourceMappingURL=slice.js.map
|
|
@@ -10,7 +10,6 @@ export declare namespace MolScriptBuilder {
|
|
|
10
10
|
'@header': string;
|
|
11
11
|
type: {
|
|
12
12
|
'@header': string;
|
|
13
|
-
/** atom macromolecular property set */
|
|
14
13
|
bool: MSymbol<import("./symbol").Arguments<import("./symbol").Arguments.PropTypes<{
|
|
15
14
|
0: import("./symbol").Argument<import("./type").Type.AnyValue>;
|
|
16
15
|
}>>, import("./type").Type.OneOf<boolean>>;
|
|
@@ -9,6 +9,7 @@ exports.parseMolScript = void 0;
|
|
|
9
9
|
var monadic_parser_1 = require("../../mol-util/monadic-parser");
|
|
10
10
|
var expression_1 = require("./expression");
|
|
11
11
|
var builder_1 = require("./builder");
|
|
12
|
+
var type_helpers_1 = require("../../mol-util/type-helpers");
|
|
12
13
|
function parseMolScript(input) {
|
|
13
14
|
return Language.parse(input);
|
|
14
15
|
}
|
|
@@ -63,15 +64,15 @@ var Language;
|
|
|
63
64
|
case '[': return builder_1.MolScriptBuilder.core.type.list(withoutComments(expr.nodes).map(visitExpr));
|
|
64
65
|
case '{': return builder_1.MolScriptBuilder.core.type.set(withoutComments(expr.nodes).map(visitExpr));
|
|
65
66
|
case '(': {
|
|
67
|
+
if (expr.nodes[0].kind === 'comment')
|
|
68
|
+
throw new Error('Invalid expression');
|
|
66
69
|
var head = visitExpr(expr.nodes[0]);
|
|
67
70
|
return expression_1.Expression.Apply(head, getArgs(expr.nodes));
|
|
68
71
|
}
|
|
72
|
+
default: (0, type_helpers_1.assertUnreachable)(expr.bracket);
|
|
69
73
|
}
|
|
70
|
-
return 0;
|
|
71
|
-
}
|
|
72
|
-
default: {
|
|
73
|
-
throw new Error('should not happen');
|
|
74
74
|
}
|
|
75
|
+
default: (0, type_helpers_1.assertUnreachable)(expr);
|
|
75
76
|
}
|
|
76
77
|
}
|
|
77
78
|
function getArgs(nodes) {
|
|
@@ -102,6 +103,8 @@ var Language;
|
|
|
102
103
|
}
|
|
103
104
|
if (i >= _i)
|
|
104
105
|
throw new Error("There must be a value foolowed a named arg ':".concat(name_1, "'."));
|
|
106
|
+
if (nodes[i].kind === 'comment')
|
|
107
|
+
throw new Error('Invalid expression');
|
|
105
108
|
args[name_1] = visitExpr(nodes[i]);
|
|
106
109
|
if (isNaN(+name_1))
|
|
107
110
|
allNumeric = false;
|
|
@@ -165,4 +168,3 @@ var Language;
|
|
|
165
168
|
}
|
|
166
169
|
Language.parse = parse;
|
|
167
170
|
})(Language || (Language = {}));
|
|
168
|
-
//# sourceMappingURL=parser.js.map
|
|
@@ -8,7 +8,7 @@ Object.defineProperty(exports, "__esModule", { value: true });
|
|
|
8
8
|
exports.internal = void 0;
|
|
9
9
|
var tslib_1 = require("tslib");
|
|
10
10
|
var type_1 = require("../type");
|
|
11
|
-
var Struct =
|
|
11
|
+
var Struct = tslib_1.__importStar(require("./structure-query"));
|
|
12
12
|
var symbol_1 = require("../symbol");
|
|
13
13
|
var helpers_1 = require("../helpers");
|
|
14
14
|
var generator = {
|
|
@@ -30,4 +30,3 @@ exports.internal = {
|
|
|
30
30
|
'@header': 'Internal Queries',
|
|
31
31
|
generator: generator
|
|
32
32
|
};
|
|
33
|
-
//# sourceMappingURL=internal.js.map
|
|
@@ -9,7 +9,7 @@ Object.defineProperty(exports, "__esModule", { value: true });
|
|
|
9
9
|
exports.structureQuery = exports.Types = void 0;
|
|
10
10
|
var tslib_1 = require("tslib");
|
|
11
11
|
var type_1 = require("../type");
|
|
12
|
-
var Core =
|
|
12
|
+
var Core = tslib_1.__importStar(require("./core"));
|
|
13
13
|
var symbol_1 = require("../symbol");
|
|
14
14
|
var helpers_1 = require("../helpers");
|
|
15
15
|
var Types;
|
|
@@ -278,4 +278,3 @@ exports.structureQuery = {
|
|
|
278
278
|
atomProperty: atomProperty,
|
|
279
279
|
bondProperty: bondProperty
|
|
280
280
|
};
|
|
281
|
-
//# sourceMappingURL=structure-query.js.map
|
|
@@ -6,6 +6,5 @@
|
|
|
6
6
|
*/
|
|
7
7
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
8
8
|
var tslib_1 = require("tslib");
|
|
9
|
-
|
|
9
|
+
tslib_1.__exportStar(require("./base"), exports);
|
|
10
10
|
require("./table");
|
|
11
|
-
//# sourceMappingURL=compiler.js.map
|
|
@@ -29,7 +29,7 @@ function Macro(symbol, translate) {
|
|
|
29
29
|
}
|
|
30
30
|
symbol.info.namespace = 'molscript-macro';
|
|
31
31
|
symbol.id = "molscript-macro.".concat(symbol.info.name);
|
|
32
|
-
return { kind: 'macro', symbol: symbol, translate: translate, aliases:
|
|
32
|
+
return { kind: 'macro', symbol: symbol, translate: translate, aliases: tslib_1.__spreadArray([symbol.info.name], aliases, true) };
|
|
33
33
|
}
|
|
34
34
|
function isMolScriptSymbol(x) {
|
|
35
35
|
return x.kind === 'alias' || x.kind === 'macro';
|
|
@@ -367,4 +367,3 @@ exports.transpileMolScript = transpileMolScript;
|
|
|
367
367
|
// return a.length - b.length;
|
|
368
368
|
// });
|
|
369
369
|
// export default [...sortedSymbols, ...NamedArgs.map(a => ':' + a), ...Constants];
|
|
370
|
-
//# sourceMappingURL=symbols.js.map
|
|
@@ -41,7 +41,7 @@ var StateAction;
|
|
|
41
41
|
var Builder;
|
|
42
42
|
(function (Builder) {
|
|
43
43
|
function root(info) {
|
|
44
|
-
return function (def) { return create(
|
|
44
|
+
return function (def) { return create(tslib_1.__assign({ from: info.from instanceof Array
|
|
45
45
|
? info.from
|
|
46
46
|
: !!info.from ? [info.from] : [], display: typeof info.display === 'string'
|
|
47
47
|
? { name: info.display }
|
|
@@ -60,4 +60,3 @@ var StateAction;
|
|
|
60
60
|
StateAction.build = Builder.build;
|
|
61
61
|
})(StateAction || (StateAction = {}));
|
|
62
62
|
exports.StateAction = StateAction;
|
|
63
|
-
//# sourceMappingURL=action.js.map
|
|
@@ -6,12 +6,11 @@
|
|
|
6
6
|
*/
|
|
7
7
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
8
8
|
var tslib_1 = require("tslib");
|
|
9
|
-
|
|
10
|
-
|
|
11
|
-
|
|
12
|
-
|
|
13
|
-
|
|
14
|
-
|
|
15
|
-
|
|
16
|
-
|
|
17
|
-
//# sourceMappingURL=index.js.map
|
|
9
|
+
tslib_1.__exportStar(require("./object"), exports);
|
|
10
|
+
tslib_1.__exportStar(require("./tree"), exports);
|
|
11
|
+
tslib_1.__exportStar(require("./state"), exports);
|
|
12
|
+
tslib_1.__exportStar(require("./state/builder"), exports);
|
|
13
|
+
tslib_1.__exportStar(require("./state/selection"), exports);
|
|
14
|
+
tslib_1.__exportStar(require("./transformer"), exports);
|
|
15
|
+
tslib_1.__exportStar(require("./transform"), exports);
|
|
16
|
+
tslib_1.__exportStar(require("./action"), exports);
|
|
@@ -145,7 +145,7 @@ var StateBuilder;
|
|
|
145
145
|
return to;
|
|
146
146
|
}
|
|
147
147
|
else {
|
|
148
|
-
return this.apply(tr, params,
|
|
148
|
+
return this.apply(tr, params, tslib_1.__assign(tslib_1.__assign({}, options), { ref: ref }));
|
|
149
149
|
}
|
|
150
150
|
};
|
|
151
151
|
/**
|
|
@@ -170,7 +170,7 @@ var StateBuilder;
|
|
|
170
170
|
return to;
|
|
171
171
|
}
|
|
172
172
|
}
|
|
173
|
-
var t = tr.apply(applyRoot, params,
|
|
173
|
+
var t = tr.apply(applyRoot, params, tslib_1.__assign(tslib_1.__assign({}, options), { tags: tagsUnion(tags, options && options.tags) }));
|
|
174
174
|
this.state.tree.add(t);
|
|
175
175
|
this.editInfo.count++;
|
|
176
176
|
this.editInfo.lastUpdate = t.ref;
|
|
@@ -273,4 +273,3 @@ function tagsUnion() {
|
|
|
273
273
|
}
|
|
274
274
|
return ret;
|
|
275
275
|
}
|
|
276
|
-
//# sourceMappingURL=builder.js.map
|
|
@@ -49,7 +49,7 @@ var StateSelection;
|
|
|
49
49
|
for (var _i = 0; _i < arguments.length; _i++) {
|
|
50
50
|
args[_i] = arguments[_i];
|
|
51
51
|
}
|
|
52
|
-
return f.call.apply(f,
|
|
52
|
+
return f.call.apply(f, tslib_1.__spreadArray([void 0, this], args, false));
|
|
53
53
|
};
|
|
54
54
|
}
|
|
55
55
|
function build(compile) {
|
|
@@ -374,4 +374,3 @@ var StateSelection;
|
|
|
374
374
|
StateSelection.tryFindDecorator = tryFindDecorator;
|
|
375
375
|
})(StateSelection || (StateSelection = {}));
|
|
376
376
|
exports.StateSelection = StateSelection;
|
|
377
|
-
//# sourceMappingURL=selection.js.map
|