molstar 3.3.1 → 3.6.0
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 +202 -194
- package/build/viewer/embedded.html +43 -43
- package/build/viewer/index.html +106 -106
- package/build/viewer/molstar.js +1 -1
- package/build/viewer/molstar.js.LICENSE.txt +12 -14
- package/lib/apps/docking-viewer/index.html +36 -36
- package/lib/apps/docking-viewer/index.js +1 -1
- package/lib/apps/docking-viewer/viewport.js +1 -1
- package/lib/apps/viewer/app.d.ts +7 -6
- package/lib/apps/viewer/app.js +3 -1
- package/lib/apps/viewer/embedded.html +43 -43
- package/lib/apps/viewer/index.html +106 -106
- 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/util.d.ts +20 -20
- package/lib/cli/cif2bcif/converter.js +1 -1
- package/lib/cli/cif2bcif/index.js +4 -4
- package/lib/cli/cifschema/util/cif-dic.d.ts +1 -1
- package/lib/cli/cifschema/util/cif-dic.js +7 -5
- package/lib/cli/cifschema/util/generate.d.ts +1 -1
- package/lib/cli/cifschema/util/generate.js +12 -3
- package/lib/cli/cifschema/util/schema.d.ts +3 -3
- package/lib/cli/cifschema/util/schema.js +1 -1
- package/lib/commonjs/apps/docking-viewer/index.js +14 -14
- package/lib/commonjs/apps/docking-viewer/viewport.js +33 -33
- package/lib/commonjs/apps/viewer/app.d.ts +7 -6
- package/lib/commonjs/apps/viewer/app.js +26 -24
- package/lib/commonjs/apps/viewer/index.js +1 -1
- package/lib/commonjs/cli/chem-comp-dict/create-ions.js +6 -6
- 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 -8
- package/lib/commonjs/cli/chem-comp-dict/util.d.ts +20 -20
- package/lib/commonjs/cli/chem-comp-dict/util.js +17 -17
- package/lib/commonjs/cli/cif2bcif/converter.js +9 -9
- package/lib/commonjs/cli/cif2bcif/index.js +12 -12
- package/lib/commonjs/cli/cifschema/index.js +27 -27
- package/lib/commonjs/cli/cifschema/util/cif-dic.d.ts +1 -1
- package/lib/commonjs/cli/cifschema/util/cif-dic.js +8 -6
- package/lib/commonjs/cli/cifschema/util/generate.d.ts +1 -1
- package/lib/commonjs/cli/cifschema/util/generate.js +12 -3
- package/lib/commonjs/cli/cifschema/util/schema.d.ts +3 -3
- package/lib/commonjs/cli/cifschema/util/schema.js +1 -1
- package/lib/commonjs/cli/lipid-params/index.js +9 -9
- package/lib/commonjs/cli/state-docs/index.js +2 -2
- package/lib/commonjs/cli/structure-info/helpers.js +11 -11
- package/lib/commonjs/cli/structure-info/model.js +15 -15
- package/lib/commonjs/cli/structure-info/volume.js +9 -9
- package/lib/commonjs/examples/alpha-orbitals/controls.js +3 -3
- package/lib/commonjs/examples/alpha-orbitals/index.js +12 -12
- package/lib/commonjs/examples/basic-wrapper/controls.js +2 -2
- package/lib/commonjs/examples/basic-wrapper/index.js +23 -23
- package/lib/commonjs/examples/basic-wrapper/superposition.js +8 -8
- package/lib/commonjs/examples/domain-annotation-server/mapping.js +3 -3
- package/lib/commonjs/examples/domain-annotation-server/server.js +6 -6
- package/lib/commonjs/examples/domain-annotation-server/test.js +3 -3
- package/lib/commonjs/examples/lighting/index.js +7 -7
- package/lib/commonjs/examples/proteopedia-wrapper/annotation.js +2 -2
- package/lib/commonjs/examples/proteopedia-wrapper/helpers.js +4 -4
- package/lib/commonjs/examples/proteopedia-wrapper/index.js +27 -27
- package/lib/commonjs/examples/proteopedia-wrapper/ui/controls.js +2 -2
- package/lib/commonjs/examples/task.js +15 -15
- package/lib/commonjs/extensions/alpha-orbitals/collocation.js +2 -2
- package/lib/commonjs/extensions/alpha-orbitals/data-model.js +1 -1
- package/lib/commonjs/extensions/alpha-orbitals/density.js +2 -2
- package/lib/commonjs/extensions/alpha-orbitals/gpu/compute.js +2 -2
- package/lib/commonjs/extensions/alpha-orbitals/orbitals.js +2 -2
- package/lib/commonjs/extensions/alpha-orbitals/transforms.js +13 -13
- package/lib/commonjs/extensions/anvil/algorithm.js +13 -13
- package/lib/commonjs/extensions/anvil/behavior.d.ts +1 -0
- package/lib/commonjs/extensions/anvil/behavior.js +14 -14
- package/lib/commonjs/extensions/anvil/prop.js +7 -7
- package/lib/commonjs/extensions/anvil/representation.d.ts +4 -0
- package/lib/commonjs/extensions/anvil/representation.js +5 -5
- package/lib/commonjs/extensions/cellpack/index.js +1 -1
- package/lib/commonjs/extensions/cellpack/model.js +26 -24
- package/lib/commonjs/extensions/cellpack/preset.js +6 -6
- package/lib/commonjs/extensions/cellpack/property.js +3 -3
- package/lib/commonjs/extensions/cellpack/representation.d.ts +1 -0
- package/lib/commonjs/extensions/cellpack/representation.js +2 -2
- package/lib/commonjs/extensions/cellpack/state.js +13 -13
- package/lib/commonjs/extensions/cellpack/util.js +14 -14
- package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.js +7 -7
- package/lib/commonjs/extensions/dnatco/confal-pyramids/color.d.ts +397 -2
- package/lib/commonjs/extensions/dnatco/confal-pyramids/color.js +223 -131
- package/lib/commonjs/extensions/dnatco/confal-pyramids/property.js +6 -8
- package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.d.ts +3 -0
- package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.js +2 -2
- package/lib/commonjs/extensions/dnatco/confal-pyramids/util.js +19 -20
- package/lib/commonjs/extensions/g3d/data.js +6 -6
- package/lib/commonjs/extensions/g3d/format.js +14 -14
- package/lib/commonjs/extensions/g3d/model.js +4 -4
- package/lib/commonjs/extensions/geo-export/controls.js +3 -3
- package/lib/commonjs/extensions/geo-export/glb-exporter.js +9 -9
- package/lib/commonjs/extensions/geo-export/index.js +1 -1
- package/lib/commonjs/extensions/geo-export/mesh-exporter.js +12 -12
- package/lib/commonjs/extensions/geo-export/obj-exporter.js +7 -7
- package/lib/commonjs/extensions/geo-export/stl-exporter.js +7 -7
- package/lib/commonjs/extensions/geo-export/ui.js +7 -7
- package/lib/commonjs/extensions/geo-export/usdz-exporter.js +9 -9
- package/lib/commonjs/extensions/model-archive/quality-assessment/behavior.js +9 -9
- package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.js +4 -4
- package/lib/commonjs/extensions/model-archive/quality-assessment/color/qmean.js +4 -4
- package/lib/commonjs/extensions/model-archive/quality-assessment/prop.js +5 -5
- package/lib/commonjs/extensions/model-export/export.js +4 -4
- package/lib/commonjs/extensions/model-export/index.js +1 -1
- package/lib/commonjs/extensions/model-export/ui.js +5 -5
- package/lib/commonjs/extensions/mp4-export/controls.js +5 -5
- package/lib/commonjs/extensions/mp4-export/encoder.js +4 -4
- package/lib/commonjs/extensions/mp4-export/index.js +1 -1
- package/lib/commonjs/extensions/mp4-export/ui.js +5 -5
- package/lib/commonjs/extensions/pdbe/preferred-assembly.js +2 -2
- package/lib/commonjs/extensions/pdbe/struct-ref-domain.js +2 -2
- package/lib/commonjs/extensions/pdbe/structure-quality-report/behavior.js +1 -1
- package/lib/commonjs/extensions/pdbe/structure-quality-report/prop.js +8 -8
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.d.ts +1 -0
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.js +17 -17
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js +2 -2
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/prop.js +9 -9
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.d.ts +1 -0
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.js +6 -6
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/ui.js +9 -9
- package/lib/commonjs/extensions/rcsb/validation-report/behavior.js +17 -17
- package/lib/commonjs/extensions/rcsb/validation-report/prop.js +15 -15
- package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +5 -0
- package/lib/commonjs/extensions/rcsb/validation-report/representation.js +3 -3
- 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 -1
- package/lib/commonjs/mol-canvas3d/camera/util.js +1 -1
- package/lib/commonjs/mol-canvas3d/camera.js +2 -1
- package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +2 -0
- package/lib/commonjs/mol-canvas3d/canvas3d.js +14 -14
- package/lib/commonjs/mol-canvas3d/controls/trackball.js +1 -1
- package/lib/commonjs/mol-canvas3d/helper/bounding-sphere-helper.js +1 -1
- package/lib/commonjs/mol-canvas3d/helper/camera-helper.d.ts +1 -0
- package/lib/commonjs/mol-canvas3d/helper/camera-helper.js +5 -5
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.d.ts +1 -0
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.js +5 -5
- package/lib/commonjs/mol-canvas3d/helper/helper.d.ts +2 -0
- package/lib/commonjs/mol-canvas3d/helper/helper.js +1 -1
- package/lib/commonjs/mol-canvas3d/helper/interaction-events.js +2 -2
- package/lib/commonjs/mol-canvas3d/passes/draw.js +3 -3
- package/lib/commonjs/mol-canvas3d/passes/fxaa.js +3 -3
- package/lib/commonjs/mol-canvas3d/passes/image.d.ts +1 -0
- package/lib/commonjs/mol-canvas3d/passes/image.js +1 -1
- package/lib/commonjs/mol-canvas3d/passes/marking.js +6 -6
- package/lib/commonjs/mol-canvas3d/passes/multi-sample.js +3 -3
- package/lib/commonjs/mol-canvas3d/passes/postprocessing.js +12 -12
- package/lib/commonjs/mol-canvas3d/passes/smaa.js +9 -9
- package/lib/commonjs/mol-canvas3d/passes/wboit.js +3 -3
- package/lib/commonjs/mol-canvas3d/util.js +2 -2
- package/lib/commonjs/mol-data/db/column.d.ts +10 -3
- package/lib/commonjs/mol-data/db/column.js +40 -18
- package/lib/commonjs/mol-data/db/table.js +1 -1
- package/lib/commonjs/mol-data/db.js +1 -1
- package/lib/commonjs/mol-data/generic.js +3 -3
- package/lib/commonjs/mol-data/index.js +4 -4
- package/lib/commonjs/mol-data/int/interval.js +1 -1
- package/lib/commonjs/mol-data/int/ordered-set.js +1 -1
- package/lib/commonjs/mol-data/int/segmentation.js +1 -1
- package/lib/commonjs/mol-data/int/sorted-array.js +1 -1
- package/lib/commonjs/mol-data/util.js +7 -7
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +4 -2
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.js +4 -4
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +3 -3
- package/lib/commonjs/mol-geo/geometry/direct-volume/transfer-function.js +1 -1
- package/lib/commonjs/mol-geo/geometry/image/image.js +3 -3
- package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +0 -1
- package/lib/commonjs/mol-geo/geometry/lines/lines.js +3 -3
- package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.js +5 -3
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.d.ts +2 -1
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +4 -4
- package/lib/commonjs/mol-geo/geometry/points/points.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/points/points.js +3 -3
- package/lib/commonjs/mol-geo/geometry/size-data.js +1 -1
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +2 -1
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.js +4 -4
- package/lib/commonjs/mol-geo/geometry/text/font-atlas.js +1 -1
- package/lib/commonjs/mol-geo/geometry/text/text-builder.js +3 -2
- package/lib/commonjs/mol-geo/geometry/text/text.js +3 -3
- package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js +10 -8
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +2 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +4 -4
- package/lib/commonjs/mol-geo/primitive/circle.js +1 -1
- package/lib/commonjs/mol-geo/primitive/cylinder.js +1 -1
- package/lib/commonjs/mol-geo/primitive/polyhedron.js +1 -1
- package/lib/commonjs/mol-geo/primitive/prism.js +1 -1
- package/lib/commonjs/mol-geo/primitive/star.js +1 -1
- package/lib/commonjs/mol-geo/primitive/torus.js +1 -1
- package/lib/commonjs/mol-geo/util/marching-cubes/algorithm.js +9 -9
- package/lib/commonjs/mol-gl/compute/grid3d.js +5 -5
- package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js +3 -3
- package/lib/commonjs/mol-gl/compute/histogram-pyramid/sum.js +3 -3
- package/lib/commonjs/mol-gl/compute/marching-cubes/active-voxels.js +3 -3
- package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.js +3 -3
- package/lib/commonjs/mol-gl/compute/util.js +3 -3
- package/lib/commonjs/mol-gl/renderable/cylinders.js +3 -3
- package/lib/commonjs/mol-gl/renderable/direct-volume.js +3 -3
- package/lib/commonjs/mol-gl/renderable/image.js +3 -3
- package/lib/commonjs/mol-gl/renderable/lines.js +3 -3
- package/lib/commonjs/mol-gl/renderable/mesh.js +3 -3
- package/lib/commonjs/mol-gl/renderable/points.js +3 -3
- package/lib/commonjs/mol-gl/renderable/schema.js +1 -1
- package/lib/commonjs/mol-gl/renderable/spheres.js +3 -3
- package/lib/commonjs/mol-gl/renderable/text.js +3 -3
- package/lib/commonjs/mol-gl/renderable/texture-mesh.js +3 -3
- package/lib/commonjs/mol-gl/renderable/util.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/wboit-write.glsl.d.ts +2 -2
- package/lib/commonjs/mol-gl/shader/chunks/wboit-write.glsl.js +2 -2
- package/lib/commonjs/mol-gl/shader/direct-volume.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/direct-volume.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/image.frag.d.ts +2 -2
- package/lib/commonjs/mol-gl/shader/image.frag.js +2 -2
- package/lib/commonjs/mol-gl/shader/lines.frag.d.ts +2 -2
- package/lib/commonjs/mol-gl/shader/lines.frag.js +2 -2
- package/lib/commonjs/mol-gl/shader/points.frag.d.ts +2 -2
- package/lib/commonjs/mol-gl/shader/points.frag.js +2 -2
- package/lib/commonjs/mol-gl/shader/text.frag.d.ts +2 -2
- package/lib/commonjs/mol-gl/shader/text.frag.js +2 -2
- package/lib/commonjs/mol-gl/shader-code.js +2 -1
- package/lib/commonjs/mol-gl/webgl/buffer.d.ts +2 -2
- package/lib/commonjs/mol-gl/webgl/buffer.js +16 -17
- package/lib/commonjs/mol-gl/webgl/context.d.ts +1 -1
- package/lib/commonjs/mol-gl/webgl/context.js +5 -5
- package/lib/commonjs/mol-gl/webgl/program.d.ts +1 -1
- package/lib/commonjs/mol-gl/webgl/program.js +10 -4
- package/lib/commonjs/mol-gl/webgl/render-item.js +1 -1
- package/lib/commonjs/mol-gl/webgl/resources.js +2 -2
- package/lib/commonjs/mol-io/common/binary-cif/classifier.js +7 -6
- package/lib/commonjs/mol-io/common/binary-cif/decoder.js +4 -3
- package/lib/commonjs/mol-io/common/binary-cif.js +3 -3
- 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/netcdf/reader.d.ts +78 -0
- package/lib/commonjs/mol-io/common/netcdf/reader.js +459 -0
- package/lib/commonjs/mol-io/common/typed-array.js +2 -2
- package/lib/commonjs/mol-io/reader/ccp4/parser.js +8 -8
- package/lib/commonjs/mol-io/reader/cif/binary/parser.js +3 -3
- package/lib/commonjs/mol-io/reader/cif/data-model.js +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/bird.d.ts +8 -8
- package/lib/commonjs/mol-io/reader/cif/schema/bird.js +12 -11
- package/lib/commonjs/mol-io/reader/cif/schema/ccd-extras.d.ts +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/ccd.d.ts +12 -12
- package/lib/commonjs/mol-io/reader/cif/schema/ccd.js +13 -12
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif-extras.d.ts +5 -5
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif-extras.js +4 -4
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif.d.ts +31 -27
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif.js +44 -39
- package/lib/commonjs/mol-io/reader/cif/schema.d.ts +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema.js +24 -4
- package/lib/commonjs/mol-io/reader/cif/text/parser.js +7 -7
- package/lib/commonjs/mol-io/reader/cif.js +1 -1
- package/lib/commonjs/mol-io/reader/common/text/tokenizer.js +4 -4
- package/lib/commonjs/mol-io/reader/csv/data-model.js +1 -1
- package/lib/commonjs/mol-io/reader/csv/parser.js +7 -7
- package/lib/commonjs/mol-io/reader/cube/parser.js +2 -2
- package/lib/commonjs/mol-io/reader/dcd/parser.js +2 -2
- package/lib/commonjs/mol-io/reader/dsn6/parser.js +8 -8
- package/lib/commonjs/mol-io/reader/dx/parser.js +4 -4
- package/lib/commonjs/mol-io/reader/gro/parser.js +6 -6
- package/lib/commonjs/mol-io/reader/mol/parser.js +2 -2
- package/lib/commonjs/mol-io/reader/mol2/parser.js +8 -8
- 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 -4
- package/lib/commonjs/mol-io/reader/pdb/parser.js +2 -2
- package/lib/commonjs/mol-io/reader/ply/parser.js +4 -4
- 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 -8
- package/lib/commonjs/mol-io/reader/sdf/parser.js +2 -2
- 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 -4
- package/lib/commonjs/mol-io/reader/xyz/parser.js +2 -2
- package/lib/commonjs/mol-io/writer/cif/encoder.js +3 -2
- package/lib/commonjs/mol-io/writer/cif.js +1 -1
- package/lib/commonjs/mol-io/writer/ligand-encoder.js +1 -1
- package/lib/commonjs/mol-io/writer/mol/encoder.js +2 -2
- package/lib/commonjs/mol-io/writer/mol2/encoder.js +1 -1
- package/lib/commonjs/mol-math/geometry/boundary-helper.js +5 -5
- package/lib/commonjs/mol-math/geometry/common.d.ts +2 -1
- package/lib/commonjs/mol-math/geometry/common.js +1 -1
- package/lib/commonjs/mol-math/geometry/gaussian-density/cpu.d.ts +1 -1
- package/lib/commonjs/mol-math/geometry/gaussian-density/cpu.js +6 -6
- package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.d.ts +1 -1
- package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.js +8 -8
- package/lib/commonjs/mol-math/geometry/gaussian-density.d.ts +2 -2
- package/lib/commonjs/mol-math/geometry/gaussian-density.js +5 -5
- package/lib/commonjs/mol-math/geometry/molecular-surface.d.ts +2 -1
- package/lib/commonjs/mol-math/geometry/molecular-surface.js +10 -10
- package/lib/commonjs/mol-math/geometry/primitives/box3d.js +2 -1
- package/lib/commonjs/mol-math/geometry/primitives/sphere3d.js +13 -7
- package/lib/commonjs/mol-math/geometry.js +8 -8
- package/lib/commonjs/mol-math/graph/inter-unit-graph.js +1 -1
- package/lib/commonjs/mol-math/graph.js +1 -1
- package/lib/commonjs/mol-math/linear-algebra.js +2 -2
- package/lib/commonjs/mol-model/sequence/alignment/alignment.js +1 -1
- package/lib/commonjs/mol-model/sequence/sequence.js +2 -1
- package/lib/commonjs/mol-model/sequence.js +1 -1
- package/lib/commonjs/mol-model/shape.js +1 -1
- package/lib/commonjs/mol-model/structure/coordinates.js +1 -1
- package/lib/commonjs/mol-model/structure/export/categories/secondary-structure.js +2 -2
- package/lib/commonjs/mol-model/structure/model/model.js +17 -9
- package/lib/commonjs/mol-model/structure/model/properties/atomic.js +3 -3
- package/lib/commonjs/mol-model/structure/model/properties/coarse.js +2 -2
- package/lib/commonjs/mol-model/structure/model/properties/common.js +1 -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
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- package/lib/mol-model-formats/structure/pdb/to-cif.js +7 -2
- package/lib/mol-model-formats/structure/pdb.d.ts +1 -1
- package/lib/mol-model-formats/structure/pdb.js +5 -3
- 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/bonds/chem_comp.js +1 -1
- package/lib/mol-model-formats/structure/property/bonds/struct_conn.js +1 -1
- package/lib/mol-model-formats/structure/property/symmetry.js +11 -1
- package/lib/mol-model-formats/structure/psf.js +3 -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 -20
- package/lib/mol-model-formats/structure/xyz.js +2 -2
- package/lib/mol-model-props/computed/representations/interactions-inter-unit-cylinder.d.ts +1 -0
- package/lib/mol-model-props/computed/representations/interactions-intra-unit-cylinder.d.ts +1 -0
- package/lib/mol-model-props/computed/representations/interactions.d.ts +3 -0
- package/lib/mol-model-props/integrative/cross-link-restraint/representation.d.ts +4 -0
- package/lib/mol-plugin/behavior/dynamic/volume-streaming/model.d.ts +2 -3
- package/lib/mol-plugin/behavior/dynamic/volume-streaming/util.js +3 -2
- package/lib/mol-plugin/commands.d.ts +1 -0
- package/lib/mol-plugin/context.d.ts +2 -1
- package/lib/mol-plugin/context.js +4 -3
- package/lib/mol-plugin/spec.js +1 -1
- package/lib/mol-plugin/util/viewport-screenshot.d.ts +3 -0
- 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 -55
- package/lib/mol-plugin-state/actions/structure.d.ts +17 -8
- package/lib/mol-plugin-state/actions/structure.js +174 -4
- package/lib/mol-plugin-state/actions/volume.js +3 -2
- 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/registry.d.ts +3 -3
- package/lib/mol-plugin-state/formats/registry.js +13 -8
- 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/helpers/structure-component.js +2 -1
- package/lib/mol-plugin-state/helpers/structure-selection-query.d.ts +1 -1
- package/lib/mol-plugin-state/helpers/structure-selection-query.js +1 -1
- package/lib/mol-plugin-state/manager/snapshots.js +4 -4
- package/lib/mol-plugin-state/objects.d.ts +47 -1
- package/lib/mol-plugin-state/objects.js +17 -1
- package/lib/mol-plugin-state/transforms/data.d.ts +6 -0
- package/lib/mol-plugin-state/transforms/data.js +61 -9
- package/lib/mol-plugin-state/transforms/model.d.ts +14 -2
- package/lib/mol-plugin-state/transforms/model.js +112 -3
- package/lib/mol-plugin-state/transforms/representation.d.ts +6 -0
- package/lib/mol-plugin-ui/base.js +1 -1
- package/lib/mol-plugin-ui/controls/action-menu.js +7 -7
- package/lib/mol-plugin-ui/controls/color.js +3 -3
- package/lib/mol-plugin-ui/controls/common.js +10 -10
- package/lib/mol-plugin-ui/controls/icons.js +70 -70
- package/lib/mol-plugin-ui/controls/legend.js +3 -3
- package/lib/mol-plugin-ui/controls/line-graph/line-graph-component.js +1 -1
- package/lib/mol-plugin-ui/controls/parameters.js +51 -51
- package/lib/mol-plugin-ui/controls/screenshot.js +2 -2
- package/lib/mol-plugin-ui/controls/slider.js +5 -5
- package/lib/mol-plugin-ui/controls.js +7 -7
- package/lib/mol-plugin-ui/custom/volume.js +4 -4
- package/lib/mol-plugin-ui/left-panel.d.ts +8 -1
- package/lib/mol-plugin-ui/left-panel.js +33 -12
- package/lib/mol-plugin-ui/plugin.js +10 -10
- package/lib/mol-plugin-ui/react18.d.ts +11 -0
- package/lib/mol-plugin-ui/react18.js +34 -0
- package/lib/mol-plugin-ui/sequence/sequence.js +1 -1
- package/lib/mol-plugin-ui/sequence.js +5 -5
- 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 -128
- 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/state/actions.js +1 -1
- package/lib/mol-plugin-ui/state/animation.js +1 -1
- package/lib/mol-plugin-ui/state/common.js +7 -7
- package/lib/mol-plugin-ui/state/snapshots.js +9 -9
- package/lib/mol-plugin-ui/state/tree.js +14 -14
- package/lib/mol-plugin-ui/state/update-transform.js +1 -1
- package/lib/mol-plugin-ui/structure/components.js +10 -10
- package/lib/mol-plugin-ui/structure/focus.d.ts +1 -1
- package/lib/mol-plugin-ui/structure/focus.js +3 -3
- package/lib/mol-plugin-ui/structure/generic.js +4 -4
- package/lib/mol-plugin-ui/structure/measurements.js +8 -8
- package/lib/mol-plugin-ui/structure/quick-styles.js +2 -2
- package/lib/mol-plugin-ui/structure/selection.js +7 -7
- package/lib/mol-plugin-ui/structure/source.js +4 -4
- package/lib/mol-plugin-ui/structure/superposition.js +8 -8
- package/lib/mol-plugin-ui/structure/volume.js +4 -4
- package/lib/mol-plugin-ui/task.js +5 -5
- package/lib/mol-plugin-ui/toast.js +4 -4
- package/lib/mol-plugin-ui/viewport/canvas.js +3 -3
- package/lib/mol-plugin-ui/viewport/help.js +8 -8
- package/lib/mol-plugin-ui/viewport/screenshot.js +3 -3
- package/lib/mol-plugin-ui/viewport/simple-settings.js +1 -1
- package/lib/mol-plugin-ui/viewport.js +4 -4
- package/lib/mol-repr/shape/loci/angle.d.ts +1 -0
- package/lib/mol-repr/shape/loci/dihedral.d.ts +1 -0
- package/lib/mol-repr/shape/loci/orientation.d.ts +1 -0
- package/lib/mol-repr/shape/loci/plane.d.ts +1 -0
- package/lib/mol-repr/shape/model/unitcell.d.ts +1 -0
- package/lib/mol-repr/structure/complex-visual.d.ts +3 -0
- package/lib/mol-repr/structure/params.d.ts +4 -0
- package/lib/mol-repr/structure/registry.d.ts +10 -0
- package/lib/mol-repr/structure/representation/backbone.d.ts +3 -0
- package/lib/mol-repr/structure/representation/ball-and-stick.d.ts +3 -0
- package/lib/mol-repr/structure/representation/carbohydrate.d.ts +3 -0
- package/lib/mol-repr/structure/representation/cartoon.d.ts +3 -0
- package/lib/mol-repr/structure/representation/ellipsoid.d.ts +3 -0
- package/lib/mol-repr/structure/representation/gaussian-surface.d.ts +3 -0
- package/lib/mol-repr/structure/representation/molecular-surface.d.ts +3 -0
- package/lib/mol-repr/structure/representation/orientation.d.ts +3 -0
- package/lib/mol-repr/structure/representation/putty.d.ts +3 -0
- package/lib/mol-repr/structure/representation/spacefill.d.ts +3 -0
- package/lib/mol-repr/structure/units-visual.d.ts +4 -0
- package/lib/mol-repr/structure/visual/bond-inter-unit-cylinder.d.ts +2 -0
- package/lib/mol-repr/structure/visual/bond-intra-unit-cylinder.d.ts +2 -0
- package/lib/mol-repr/structure/visual/carbohydrate-link-cylinder.d.ts +1 -0
- package/lib/mol-repr/structure/visual/carbohydrate-symbol-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.d.ts +1 -0
- package/lib/mol-repr/structure/visual/element-sphere.d.ts +2 -0
- package/lib/mol-repr/structure/visual/ellipsoid-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/gaussian-density-volume.js +2 -3
- package/lib/mol-repr/structure/visual/gaussian-surface-mesh.d.ts +5 -1
- package/lib/mol-repr/structure/visual/gaussian-surface-mesh.js +10 -10
- package/lib/mol-repr/structure/visual/gaussian-surface-wireframe.d.ts +1 -1
- package/lib/mol-repr/structure/visual/gaussian-surface-wireframe.js +4 -5
- package/lib/mol-repr/structure/visual/molecular-surface-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/molecular-surface-mesh.js +4 -4
- package/lib/mol-repr/structure/visual/molecular-surface-wireframe.d.ts +1 -1
- package/lib/mol-repr/structure/visual/molecular-surface-wireframe.js +5 -5
- package/lib/mol-repr/structure/visual/nucleotide-block-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/nucleotide-ring-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/orientation-ellipsoid-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/polymer-backbone-cylinder.d.ts +2 -0
- package/lib/mol-repr/structure/visual/polymer-backbone-sphere.d.ts +2 -0
- package/lib/mol-repr/structure/visual/polymer-direction-wedge.d.ts +1 -0
- package/lib/mol-repr/structure/visual/polymer-gap-cylinder.d.ts +1 -0
- package/lib/mol-repr/structure/visual/polymer-trace-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/polymer-tube-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/util/common.d.ts +1 -3
- package/lib/mol-repr/structure/visual/util/common.js +1 -24
- package/lib/mol-repr/util.d.ts +2 -1
- package/lib/mol-repr/util.js +2 -2
- package/lib/mol-repr/volume/isosurface.d.ts +5 -0
- package/lib/mol-repr/volume/registry.d.ts +1 -0
- package/lib/mol-script/language/builder.d.ts +1 -0
- package/lib/mol-script/language/parser.js +7 -4
- package/lib/mol-task/util/scheduler.d.ts +2 -2
- package/lib/mol-task/util/scheduler.js +7 -7
- package/lib/mol-theme/color/hydrophobicity.js +2 -2
- package/lib/mol-util/data-source.js +2 -1
- package/lib/mol-util/file-info.d.ts +1 -3
- package/lib/mol-util/file-info.js +2 -10
- package/lib/mol-util/index.d.ts +1 -0
- package/lib/mol-util/index.js +5 -0
- package/lib/mol-util/zip/deflate.js +2 -1
- package/lib/mol-util/zip/zip.d.ts +7 -1
- package/lib/mol-util/zip/zip.js +5 -1
- package/lib/servers/model/config.d.ts +2 -2
- package/package.json +162 -160
- package/lib/commonjs/mol-plugin-state/formats/structure.js +0 -64
- package/lib/mol-plugin-state/formats/structure.js +0 -61
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var models = tslib_1.__spreadArray(tslib_1.__spreadArray([], state.selectQ(function (q) { return q.rootsOfType(objects_1.PluginStateObject.Molecule.Model); }), true), state.selectQ(function (q) { return q.rootsOfType(objects_1.PluginStateObject.Molecule.Topology); }), true);
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@@ -382,9 +386,9 @@ exports.AddTrajectory = mol_state_1.StateAction.build({
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exports.LoadTrajectory = mol_state_1.StateAction.build({
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display: { name: 'Load Trajectory', description: 'Load trajectory of model/topology and coordinates from URL or file.' },
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from: objects_1.PluginStateObject.Root,
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params: function (a, ctx) {
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var modelOptions = options.filter(function (o) { return o[2] === trajectory_1.TrajectoryFormatCategory || o[2] === topology_1.TopologyFormatCategory; });
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var coordinatesOptions = options.filter(function (o) { return o[2] === coordinates_1.CoordinatesFormatCategory; });
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var coordinatesExts = [];
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for (var _i = 0, _a = ctx.dataFormats.list; _i < _a.length; _i++) {
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if (provider.category === trajectory_1.TrajectoryFormatCategory || provider.category === topology_1.TopologyFormatCategory) {
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if (provider.stringExtensions)
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}
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else if (provider.category === coordinates_1.CoordinatesFormatCategory) {
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if (provider.binaryExtensions)
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coordinatesExts.push.apply(coordinatesExts, provider.binaryExtensions);
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if (provider.stringExtensions)
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}
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}
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return {
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source: param_definition_1.ParamDefinition.MappedStatic('file', {
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url: param_definition_1.ParamDefinition.Group({
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model: param_definition_1.ParamDefinition.Group({
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url: param_definition_1.ParamDefinition.Url(''),
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format: param_definition_1.ParamDefinition.Select(modelOptions[0][0], modelOptions),
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isBinary: param_definition_1.ParamDefinition.Boolean(false),
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}, { isExpanded: true }),
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coordinates: param_definition_1.ParamDefinition.Group({
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url: param_definition_1.ParamDefinition.Url(''),
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format: param_definition_1.ParamDefinition.Select(coordinatesOptions[0][0], coordinatesOptions),
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}, { isExpanded: true })
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}, { isFlat: true }),
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file: param_definition_1.ParamDefinition.Group({
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model: param_definition_1.ParamDefinition.File({ accept: modelExts.map(function (e) { return ".".concat(e); }).join(','), label: 'Model' }),
|
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|
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coordinates: param_definition_1.ParamDefinition.File({ accept: coordinatesExts.map(function (e) { return ".".concat(e); }).join(','), label: 'Coordinates' }),
|
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|
+
}, { isFlat: true }),
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+
}, { options: [['url', 'URL'], ['file', 'File']] })
|
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|
+
};
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+
}
|
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|
+
})(function (_a, ctx) {
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|
+
var params = _a.params, state = _a.state;
|
|
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|
+
return mol_task_1.Task.create('Load Trajectory', function (taskCtx) {
|
|
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|
+
return state.transaction(function () { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
|
|
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|
+
var s, processUrl, processFile, modelParsed, _a, model, coordinates, _b, dependsOn, traj, structure, e_1;
|
|
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|
+
return tslib_1.__generator(this, function (_c) {
|
|
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|
+
switch (_c.label) {
|
|
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|
+
case 0:
|
|
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|
+
s = params.source;
|
|
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|
+
if (s.name === 'file' && (s.params.model === null || s.params.coordinates === null)) {
|
|
470
|
+
ctx.log.error('No file(s) selected');
|
|
471
|
+
return [2 /*return*/];
|
|
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|
+
}
|
|
473
|
+
if (s.name === 'url' && (!s.params.model || !s.params.coordinates)) {
|
|
474
|
+
ctx.log.error('No URL(s) given');
|
|
475
|
+
return [2 /*return*/];
|
|
476
|
+
}
|
|
477
|
+
processUrl = function (url, format, isBinary) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
|
|
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|
+
var data, provider;
|
|
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|
+
return tslib_1.__generator(this, function (_a) {
|
|
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|
+
switch (_a.label) {
|
|
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|
+
case 0: return [4 /*yield*/, ctx.builders.data.download({ url: url, isBinary: isBinary })];
|
|
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|
+
case 1:
|
|
483
|
+
data = _a.sent();
|
|
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|
+
provider = ctx.dataFormats.get(format);
|
|
485
|
+
if (!provider) {
|
|
486
|
+
ctx.log.warn("LoadTrajectory: could not find data provider for '".concat(format, "'"));
|
|
487
|
+
return [2 /*return*/];
|
|
488
|
+
}
|
|
489
|
+
return [2 /*return*/, provider.parse(ctx, data)];
|
|
490
|
+
}
|
|
491
|
+
});
|
|
492
|
+
}); };
|
|
493
|
+
processFile = function (file) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
|
|
494
|
+
var info, isBinary, data, provider;
|
|
495
|
+
var _a;
|
|
496
|
+
return tslib_1.__generator(this, function (_b) {
|
|
497
|
+
switch (_b.label) {
|
|
498
|
+
case 0:
|
|
499
|
+
if (!file)
|
|
500
|
+
throw new Error('No file selected');
|
|
501
|
+
info = (0, file_info_1.getFileInfo)(file.file);
|
|
502
|
+
isBinary = ctx.dataFormats.binaryExtensions.has(info.ext);
|
|
503
|
+
return [4 /*yield*/, ctx.builders.data.readFile({ file: file, isBinary: isBinary })];
|
|
504
|
+
case 1:
|
|
505
|
+
data = (_b.sent()).data;
|
|
506
|
+
provider = ctx.dataFormats.auto(info, (_a = data.cell) === null || _a === void 0 ? void 0 : _a.obj);
|
|
507
|
+
if (!!provider) return [3 /*break*/, 3];
|
|
508
|
+
ctx.log.warn("LoadTrajectory: could not find data provider for '".concat(info.ext, "'"));
|
|
509
|
+
return [4 /*yield*/, ctx.state.data.build().delete(data).commit()];
|
|
510
|
+
case 2:
|
|
511
|
+
_b.sent();
|
|
512
|
+
return [2 /*return*/];
|
|
513
|
+
case 3: return [2 /*return*/, provider.parse(ctx, data)];
|
|
514
|
+
}
|
|
515
|
+
});
|
|
516
|
+
}); };
|
|
517
|
+
_c.label = 1;
|
|
518
|
+
case 1:
|
|
519
|
+
_c.trys.push([1, 16, , 17]);
|
|
520
|
+
if (!(s.name === 'url')) return [3 /*break*/, 3];
|
|
521
|
+
return [4 /*yield*/, processUrl(s.params.model.url, s.params.model.format, s.params.model.isBinary)];
|
|
522
|
+
case 2:
|
|
523
|
+
_a = _c.sent();
|
|
524
|
+
return [3 /*break*/, 5];
|
|
525
|
+
case 3: return [4 /*yield*/, processFile(s.params.model)];
|
|
526
|
+
case 4:
|
|
527
|
+
_a = _c.sent();
|
|
528
|
+
_c.label = 5;
|
|
529
|
+
case 5:
|
|
530
|
+
modelParsed = _a;
|
|
531
|
+
model = void 0;
|
|
532
|
+
if (!('trajectory' in modelParsed)) return [3 /*break*/, 7];
|
|
533
|
+
return [4 /*yield*/, state.build().to(modelParsed.trajectory)
|
|
534
|
+
.apply(model_1.ModelFromTrajectory, { modelIndex: 0 })
|
|
535
|
+
.commit()];
|
|
536
|
+
case 6:
|
|
537
|
+
model = _c.sent();
|
|
538
|
+
return [3 /*break*/, 8];
|
|
539
|
+
case 7:
|
|
540
|
+
model = modelParsed.topology;
|
|
541
|
+
_c.label = 8;
|
|
542
|
+
case 8:
|
|
543
|
+
if (!(s.name === 'url')) return [3 /*break*/, 10];
|
|
544
|
+
return [4 /*yield*/, processUrl(s.params.coordinates.url, s.params.coordinates.format, true)];
|
|
545
|
+
case 9:
|
|
546
|
+
_b = _c.sent();
|
|
547
|
+
return [3 /*break*/, 12];
|
|
548
|
+
case 10: return [4 /*yield*/, processFile(s.params.coordinates)];
|
|
549
|
+
case 11:
|
|
550
|
+
_b = _c.sent();
|
|
551
|
+
_c.label = 12;
|
|
552
|
+
case 12:
|
|
553
|
+
coordinates = _b;
|
|
554
|
+
dependsOn = [model.ref, coordinates.ref];
|
|
555
|
+
traj = state.build().toRoot()
|
|
556
|
+
.apply(model_1.TrajectoryFromModelAndCoordinates, {
|
|
557
|
+
modelRef: model.ref,
|
|
558
|
+
coordinatesRef: coordinates.ref
|
|
559
|
+
}, { dependsOn: dependsOn })
|
|
560
|
+
.apply(transforms_1.StateTransforms.Model.ModelFromTrajectory, { modelIndex: 0 });
|
|
561
|
+
return [4 /*yield*/, state.updateTree(traj).runInContext(taskCtx)];
|
|
562
|
+
case 13:
|
|
563
|
+
_c.sent();
|
|
564
|
+
return [4 /*yield*/, ctx.builders.structure.createStructure(traj.selector)];
|
|
565
|
+
case 14:
|
|
566
|
+
structure = _c.sent();
|
|
567
|
+
return [4 /*yield*/, ctx.builders.structure.representation.applyPreset(structure, 'auto')];
|
|
568
|
+
case 15:
|
|
569
|
+
_c.sent();
|
|
570
|
+
return [3 /*break*/, 17];
|
|
571
|
+
case 16:
|
|
572
|
+
e_1 = _c.sent();
|
|
573
|
+
console.error(e_1);
|
|
574
|
+
ctx.log.error("Error loading trajectory");
|
|
575
|
+
return [3 /*break*/, 17];
|
|
576
|
+
case 17: return [2 /*return*/];
|
|
577
|
+
}
|
|
578
|
+
});
|
|
579
|
+
}); }).runInContext(taskCtx);
|
|
580
|
+
});
|
|
581
|
+
});
|
|
@@ -15,6 +15,7 @@ var param_definition_1 = require("../../mol-util/param-definition");
|
|
|
15
15
|
var objects_1 = require("../objects");
|
|
16
16
|
var assets_1 = require("../../mol-util/assets");
|
|
17
17
|
var transforms_1 = require("../transforms");
|
|
18
|
+
var type_helpers_1 = require("../../mol-util/type-helpers");
|
|
18
19
|
var DownloadDensity = mol_state_1.StateAction.build({
|
|
19
20
|
from: objects_1.PluginStateObject.Root,
|
|
20
21
|
display: { name: 'Download Density', description: 'Load a density from the provided source and create its default visual.' },
|
|
@@ -60,10 +61,10 @@ var DownloadDensity = mol_state_1.StateAction.build({
|
|
|
60
61
|
}
|
|
61
62
|
})(function (_a, plugin) {
|
|
62
63
|
var params = _a.params;
|
|
63
|
-
return mol_task_1.Task.create('Download Density', function (taskCtx) { return
|
|
64
|
+
return mol_task_1.Task.create('Download Density', function (taskCtx) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
|
|
64
65
|
var src, downloadParams, provider, data, entryId, volumes;
|
|
65
66
|
var _a, _b;
|
|
66
|
-
return
|
|
67
|
+
return tslib_1.__generator(this, function (_c) {
|
|
67
68
|
switch (_c.label) {
|
|
68
69
|
case 0:
|
|
69
70
|
src = params.source;
|
|
@@ -108,7 +109,7 @@ var DownloadDensity = mol_state_1.StateAction.build({
|
|
|
108
109
|
label: "RCSB PDB X-ray Density Server: ".concat(src.params.provider.id)
|
|
109
110
|
};
|
|
110
111
|
break;
|
|
111
|
-
default:
|
|
112
|
+
default: (0, type_helpers_1.assertUnreachable)(src);
|
|
112
113
|
}
|
|
113
114
|
return [4 /*yield*/, plugin.builders.data.download(downloadParams)];
|
|
114
115
|
case 1:
|
|
@@ -130,7 +131,7 @@ var DownloadDensity = mol_state_1.StateAction.build({
|
|
|
130
131
|
entryId = src.params.provider.id;
|
|
131
132
|
provider = plugin.dataFormats.get('dscif');
|
|
132
133
|
break;
|
|
133
|
-
default:
|
|
134
|
+
default: (0, type_helpers_1.assertUnreachable)(src);
|
|
134
135
|
}
|
|
135
136
|
if (!provider) {
|
|
136
137
|
plugin.log.warn('DownloadDensity: Format provider not found.');
|
|
@@ -7,9 +7,9 @@
|
|
|
7
7
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
8
8
|
exports.StateActions = void 0;
|
|
9
9
|
var tslib_1 = require("tslib");
|
|
10
|
-
var Structure =
|
|
11
|
-
var Volume =
|
|
12
|
-
var DataFormat =
|
|
10
|
+
var Structure = tslib_1.__importStar(require("./actions/structure"));
|
|
11
|
+
var Volume = tslib_1.__importStar(require("./actions/volume"));
|
|
12
|
+
var DataFormat = tslib_1.__importStar(require("./actions/file"));
|
|
13
13
|
exports.StateActions = {
|
|
14
14
|
Structure: Structure,
|
|
15
15
|
Volume: Volume,
|
|
@@ -76,9 +76,9 @@ exports.AnimateAssemblyUnwind = model_1.PluginStateAnimation.create({
|
|
|
76
76
|
return update.commit();
|
|
77
77
|
},
|
|
78
78
|
apply: function (animState, t, ctx) {
|
|
79
|
-
return
|
|
79
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
80
80
|
var state, root, anims, update, d, newTime, finished, _i, anims_1, m;
|
|
81
|
-
return
|
|
81
|
+
return tslib_1.__generator(this, function (_a) {
|
|
82
82
|
switch (_a.label) {
|
|
83
83
|
case 0:
|
|
84
84
|
state = ctx.plugin.state.data;
|
|
@@ -31,9 +31,9 @@ exports.AnimateCameraRock = model_1.PluginStateAnimation.create({
|
|
|
31
31
|
},
|
|
32
32
|
apply: function (animState, t, ctx) {
|
|
33
33
|
var _a, _b;
|
|
34
|
-
return
|
|
34
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
35
35
|
var snapshot, phase, angle, position;
|
|
36
|
-
return
|
|
36
|
+
return tslib_1.__generator(this, function (_c) {
|
|
37
37
|
if (t.current === 0) {
|
|
38
38
|
return [2 /*return*/, { kind: 'next', state: animState }];
|
|
39
39
|
}
|
|
@@ -50,7 +50,7 @@ exports.AnimateCameraRock = model_1.PluginStateAnimation.create({
|
|
|
50
50
|
quat_1.Quat.setAxisAngle(_rot, _axis, angle);
|
|
51
51
|
vec3_1.Vec3.transformQuat(_dir, _dir, _rot);
|
|
52
52
|
position = vec3_1.Vec3.add((0, vec3_1.Vec3)(), snapshot.target, _dir);
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-
(_b = ctx.plugin.canvas3d) === null || _b === void 0 ? void 0 : _b.requestCameraReset({ snapshot:
|
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+
(_b = ctx.plugin.canvas3d) === null || _b === void 0 ? void 0 : _b.requestCameraReset({ snapshot: tslib_1.__assign(tslib_1.__assign({}, snapshot), { position: position }), durationMs: 0 });
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if (phase >= 0.99999) {
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return [2 /*return*/, { kind: 'finished' }];
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}
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@@ -30,9 +30,9 @@ exports.AnimateCameraSpin = model_1.PluginStateAnimation.create({
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},
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apply: function (animState, t, ctx) {
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var _a, _b;
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return
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+
return tslib_1.__awaiter(this, void 0, void 0, function () {
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var snapshot, phase, angle, position;
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return
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+
return tslib_1.__generator(this, function (_c) {
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if (t.current === 0) {
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return [2 /*return*/, { kind: 'next', state: animState }];
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}
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@@ -49,7 +49,7 @@ exports.AnimateCameraSpin = model_1.PluginStateAnimation.create({
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quat_1.Quat.setAxisAngle(_rot, _axis, angle);
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vec3_1.Vec3.transformQuat(_dir, _dir, _rot);
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position = vec3_1.Vec3.add((0, vec3_1.Vec3)(), snapshot.target, _dir);
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-
(_b = ctx.plugin.canvas3d) === null || _b === void 0 ? void 0 : _b.requestCameraReset({ snapshot:
|
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+
(_b = ctx.plugin.canvas3d) === null || _b === void 0 ? void 0 : _b.requestCameraReset({ snapshot: tslib_1.__assign(tslib_1.__assign({}, snapshot), { position: position }), durationMs: 0 });
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if (phase >= 0.99999) {
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return [2 /*return*/, { kind: 'finished' }];
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}
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@@ -21,9 +21,9 @@ exports.AnimateUnitsExplode = model_1.PluginStateAnimation.create({
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}); },
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initialState: function () { return ({ t: 0 }); },
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setup: function (_, __, plugin) {
|
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-
return
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+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
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var state, reprs, update, changed, _i, reprs_1, r, explodes;
|
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-
return
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+
return tslib_1.__generator(this, function (_a) {
|
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state = plugin.state.data;
|
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reprs = state.select(mol_state_1.StateSelection.Generators.ofType(objects_1.PluginStateObject.Molecule.Structure.Representation3D));
|
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update = state.build();
|
|
@@ -57,9 +57,9 @@ exports.AnimateUnitsExplode = model_1.PluginStateAnimation.create({
|
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return update.commit();
|
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},
|
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apply: function (animState, t, ctx) {
|
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return
|
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60
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+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
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var state, anims, update, d, newTime, _i, anims_1, m;
|
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|
-
return
|
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+
return tslib_1.__generator(this, function (_a) {
|
|
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|
switch (_a.label) {
|
|
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|
case 0:
|
|
65
65
|
state = ctx.plugin.state.data;
|
|
@@ -69,9 +69,9 @@ exports.AnimateModelIndex = model_1.PluginStateAnimation.create({
|
|
|
69
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|
},
|
|
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|
initialState: function () { return ({}); },
|
|
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|
apply: function (animState, t, ctx) {
|
|
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|
-
return
|
|
72
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
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|
var state, models, update, params, palindromeDirections, isEnd, allSingles, _loop_1, _i, models_3, m;
|
|
74
|
-
return
|
|
74
|
+
return tslib_1.__generator(this, function (_a) {
|
|
75
75
|
switch (_a.label) {
|
|
76
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|
case 0:
|
|
77
77
|
// limit fps
|
|
@@ -23,9 +23,9 @@ exports.AnimateStructureSpin = model_1.PluginStateAnimation.create({
|
|
|
23
23
|
initialState: function () { return ({ t: 0 }); },
|
|
24
24
|
getDuration: function (p) { return ({ kind: 'fixed', durationMs: p.durationInMs }); },
|
|
25
25
|
setup: function (_, __, plugin) {
|
|
26
|
-
return
|
|
26
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
27
27
|
var state, reprs, update, changed, _i, reprs_1, r, spins;
|
|
28
|
-
return
|
|
28
|
+
return tslib_1.__generator(this, function (_a) {
|
|
29
29
|
state = plugin.state.data;
|
|
30
30
|
reprs = state.select(mol_state_1.StateSelection.Generators.ofType(objects_1.PluginStateObject.Molecule.Structure.Representation3D));
|
|
31
31
|
update = state.build();
|
|
@@ -60,9 +60,9 @@ exports.AnimateStructureSpin = model_1.PluginStateAnimation.create({
|
|
|
60
60
|
},
|
|
61
61
|
apply: function (animState, t, ctx) {
|
|
62
62
|
var _a;
|
|
63
|
-
return
|
|
63
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
64
64
|
var state, anims, update, d, newTime, _i, anims_1, m;
|
|
65
|
-
return
|
|
65
|
+
return tslib_1.__generator(this, function (_b) {
|
|
66
66
|
switch (_b.label) {
|
|
67
67
|
case 0:
|
|
68
68
|
state = ctx.plugin.state.data;
|
|
@@ -75,7 +75,7 @@ exports.AnimateStructureSpin = model_1.PluginStateAnimation.create({
|
|
|
75
75
|
newTime = (animState.t + d) % 1;
|
|
76
76
|
for (_i = 0, anims_1 = anims; _i < anims_1.length; _i++) {
|
|
77
77
|
m = anims_1[_i];
|
|
78
|
-
update.to(m).update(
|
|
78
|
+
update.to(m).update(tslib_1.__assign(tslib_1.__assign({}, (_a = m.params) === null || _a === void 0 ? void 0 : _a.values), { t: newTime }));
|
|
79
79
|
}
|
|
80
80
|
return [4 /*yield*/, commands_1.PluginCommands.State.Update(ctx.plugin, { state: state, tree: update, options: { doNotLogTiming: true } })];
|
|
81
81
|
case 1:
|
|
@@ -23,9 +23,9 @@ exports.AnimateStateInterpolation = model_1.PluginStateAnimation.create({
|
|
|
23
23
|
},
|
|
24
24
|
initialState: function () { return ({}); },
|
|
25
25
|
apply: function (animState, t, ctx) {
|
|
26
|
-
return
|
|
26
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
27
27
|
var snapshots, currentT, srcIndex, tarIndex, _src, _tar, src, tar, state, update, _i, src_1, s, _a, tar_1, t_1, e, f, oldState, newState;
|
|
28
|
-
return
|
|
28
|
+
return tslib_1.__generator(this, function (_b) {
|
|
29
29
|
switch (_b.label) {
|
|
30
30
|
case 0:
|
|
31
31
|
snapshots = ctx.plugin.managers.snapshot.state.entries;
|
|
@@ -11,8 +11,8 @@ var model_1 = require("../model");
|
|
|
11
11
|
function setPartialSnapshot(plugin, entry, first) {
|
|
12
12
|
var _a;
|
|
13
13
|
if (first === void 0) { first = false; }
|
|
14
|
-
return
|
|
15
|
-
return
|
|
14
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
15
|
+
return tslib_1.__generator(this, function (_b) {
|
|
16
16
|
switch (_b.label) {
|
|
17
17
|
case 0:
|
|
18
18
|
if (!entry.snapshot.data) return [3 /*break*/, 2];
|
|
@@ -68,9 +68,9 @@ exports.AnimateStateSnapshots = model_1.PluginStateAnimation.create({
|
|
|
68
68
|
},
|
|
69
69
|
apply: function (animState, t, ctx) {
|
|
70
70
|
var _a;
|
|
71
|
-
return
|
|
71
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
72
72
|
var ctime, i, _i, _b, s;
|
|
73
|
-
return
|
|
73
|
+
return tslib_1.__generator(this, function (_c) {
|
|
74
74
|
if (t.current >= animState.totalDuration) {
|
|
75
75
|
return [2 /*return*/, { kind: 'finished' }];
|
|
76
76
|
}
|
|
@@ -89,7 +89,7 @@ exports.AnimateStateSnapshots = model_1.PluginStateAnimation.create({
|
|
|
89
89
|
return [2 /*return*/, { kind: 'skip' }];
|
|
90
90
|
}
|
|
91
91
|
setPartialSnapshot(ctx.plugin, animState.snapshots[i]);
|
|
92
|
-
return [2 /*return*/, { kind: 'next', state:
|
|
92
|
+
return [2 /*return*/, { kind: 'next', state: tslib_1.__assign(tslib_1.__assign({}, animState), { currentIndex: i }) }];
|
|
93
93
|
});
|
|
94
94
|
});
|
|
95
95
|
}
|
|
@@ -34,9 +34,9 @@ var DataBuilder = /** @class */ (function () {
|
|
|
34
34
|
};
|
|
35
35
|
DataBuilder.prototype.readFile = function (params, options) {
|
|
36
36
|
var _a;
|
|
37
|
-
return
|
|
37
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
38
38
|
var data, fileInfo;
|
|
39
|
-
return
|
|
39
|
+
return tslib_1.__generator(this, function (_b) {
|
|
40
40
|
switch (_b.label) {
|
|
41
41
|
case 0: return [4 /*yield*/, this.dataState.build().toRoot().apply(data_1.ReadFile, params, options).commit({ revertOnError: true })];
|
|
42
42
|
case 1:
|