molstar 3.3.1 → 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/README.md +3 -0
- package/build/viewer/molstar.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 +2 -0
- 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/commonjs/apps/docking-viewer/index.js +12 -12
- 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 +24 -22
- 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.js +17 -17
- package/lib/commonjs/cli/cif2bcif/converter.js +9 -9
- package/lib/commonjs/cli/cif2bcif/index.js +8 -8
- package/lib/commonjs/cli/cifschema/index.js +27 -27
- package/lib/commonjs/cli/cifschema/util/cif-dic.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 +11 -11
- package/lib/commonjs/examples/basic-wrapper/controls.js +2 -2
- package/lib/commonjs/examples/basic-wrapper/index.js +22 -22
- 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 +6 -6
- 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 +26 -26
- 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.js +14 -14
- package/lib/commonjs/extensions/anvil/prop.js +7 -7
- 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.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/property.js +5 -5
- package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.js +2 -2
- package/lib/commonjs/extensions/dnatco/confal-pyramids/util.js +1 -1
- 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.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.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.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.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.js +5 -5
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.js +5 -5
- 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.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.js +2 -2
- 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.js +3 -3
- 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.js +3 -3
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +3 -3
- 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.js +3 -3
- 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.js +4 -4
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +3 -3
- 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-code.js +2 -1
- package/lib/commonjs/mol-gl/webgl/buffer.js +4 -5
- package/lib/commonjs/mol-gl/webgl/context.js +3 -3
- 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/mmcif-extras.js +2 -2
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif.d.ts +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema.js +2 -2
- 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 +1 -1
- 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/gaussian-density/cpu.js +4 -4
- package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.js +1 -1
- package/lib/commonjs/mol-math/geometry/gaussian-density.js +4 -4
- package/lib/commonjs/mol-math/geometry/molecular-surface.js +8 -8
- package/lib/commonjs/mol-math/geometry/primitives/sphere3d.js +1 -1
- 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 +3 -3
- 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/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.js +3 -3
- package/lib/commonjs/mol-model/structure/query/queries/generators.js +2 -2
- package/lib/commonjs/mol-model/structure/query/queries/modifiers.js +2 -2
- package/lib/commonjs/mol-model/structure/query.js +6 -6
- package/lib/commonjs/mol-model/structure/structure/carbohydrates/compute.js +1 -1
- package/lib/commonjs/mol-model/structure/structure/carbohydrates/constants.d.ts +1 -1
- package/lib/commonjs/mol-model/structure/structure/carbohydrates/constants.js +6 -9
- package/lib/commonjs/mol-model/structure/structure/element/element.js +5 -5
- package/lib/commonjs/mol-model/structure/structure/element.js +1 -1
- package/lib/commonjs/mol-model/structure/structure/structure.js +5 -5
- package/lib/commonjs/mol-model/structure/structure/symmetry.js +10 -10
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/data.js +2 -2
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.js +3 -3
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/intra-compute.js +1 -1
- package/lib/commonjs/mol-model/structure/structure/unit/bonds.js +3 -3
- package/lib/commonjs/mol-model/structure/structure/unit.js +4 -4
- package/lib/commonjs/mol-model/structure/structure/util/superposition.js +1 -1
- package/lib/commonjs/mol-model/structure/structure.js +2 -2
- package/lib/commonjs/mol-model/structure/topology.js +1 -1
- package/lib/commonjs/mol-model/structure.js +6 -6
- package/lib/commonjs/mol-model/volume.js +2 -2
- package/lib/commonjs/mol-model-formats/shape/ply.js +7 -7
- package/lib/commonjs/mol-model-formats/structure/basic/atomic.d.ts +1 -1
- package/lib/commonjs/mol-model-formats/structure/basic/atomic.js +2 -15
- package/lib/commonjs/mol-model-formats/structure/basic/coarse.js +3 -3
- package/lib/commonjs/mol-model-formats/structure/basic/entities.js +1 -1
- package/lib/commonjs/mol-model-formats/structure/basic/parser.d.ts +1 -1
- package/lib/commonjs/mol-model-formats/structure/basic/parser.js +10 -10
- package/lib/commonjs/mol-model-formats/structure/basic/schema.d.ts +2 -2
- package/lib/commonjs/mol-model-formats/structure/basic/schema.js +7 -2
- package/lib/commonjs/mol-model-formats/structure/basic/sort.js +2 -2
- package/lib/commonjs/mol-model-formats/structure/basic/util.d.ts +33 -2
- package/lib/commonjs/mol-model-formats/structure/basic/util.js +26 -2
- package/lib/commonjs/mol-model-formats/structure/cif-core.js +6 -6
- package/lib/commonjs/mol-model-formats/structure/common/component.js +5 -1
- package/lib/commonjs/mol-model-formats/structure/cube.js +5 -5
- package/lib/commonjs/mol-model-formats/structure/dcd.js +2 -2
- package/lib/commonjs/mol-model-formats/structure/gro.js +5 -3
- package/lib/commonjs/mol-model-formats/structure/mmcif.d.ts +1 -1
- package/lib/commonjs/mol-model-formats/structure/mmcif.js +4 -2
- package/lib/commonjs/mol-model-formats/structure/mol.js +5 -5
- package/lib/commonjs/mol-model-formats/structure/mol2.js +6 -6
- 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/to-cif.js +2 -2
- package/lib/commonjs/mol-model-formats/structure/pdb.d.ts +1 -1
- package/lib/commonjs/mol-model-formats/structure/pdb.js +7 -5
- 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/bonds/index-pair.js +1 -1
- package/lib/commonjs/mol-model-formats/structure/property/symmetry.js +11 -1
- package/lib/commonjs/mol-model-formats/structure/psf.js +5 -3
- 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 -20
- package/lib/commonjs/mol-model-formats/structure/xtc.js +2 -2
- package/lib/commonjs/mol-model-formats/structure/xyz.js +2 -2
- package/lib/commonjs/mol-model-formats/volume/ccp4.js +2 -2
- package/lib/commonjs/mol-model-formats/volume/cube.js +2 -2
- package/lib/commonjs/mol-model-formats/volume/density-server.js +2 -2
- package/lib/commonjs/mol-model-formats/volume/dsn6.js +2 -2
- package/lib/commonjs/mol-model-formats/volume/dx.js +2 -2
- package/lib/commonjs/mol-model-props/common/custom-element-property.js +2 -2
- package/lib/commonjs/mol-model-props/common/custom-model-property.js +5 -5
- package/lib/commonjs/mol-model-props/common/custom-property.js +1 -1
- package/lib/commonjs/mol-model-props/common/custom-structure-property.js +6 -6
- package/lib/commonjs/mol-model-props/computed/accessible-surface-area/shrake-rupley/area.js +2 -2
- package/lib/commonjs/mol-model-props/computed/accessible-surface-area/shrake-rupley.js +5 -5
- package/lib/commonjs/mol-model-props/computed/accessible-surface-area.js +4 -4
- package/lib/commonjs/mol-model-props/computed/chemistry/valence-model.js +3 -3
- package/lib/commonjs/mol-model-props/computed/helix-orientation.js +2 -2
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- package/lib/commonjs/servers/volume/pack.js +1 -1
- package/lib/commonjs/servers/volume/query.js +4 -4
- package/lib/commonjs/servers/volume/server/algebra/box.js +1 -1
- package/lib/commonjs/servers/volume/server/api.js +8 -8
- package/lib/commonjs/servers/volume/server/local-api.js +8 -8
- package/lib/commonjs/servers/volume/server/query/compose.js +8 -8
- package/lib/commonjs/servers/volume/server/query/execute.js +10 -10
- package/lib/commonjs/servers/volume/server/query/identify.js +2 -2
- package/lib/commonjs/servers/volume/server/web-api.js +7 -7
- package/lib/commonjs/servers/volume/server.js +2 -2
- package/lib/examples/alpha-orbitals/controls.js +2 -2
- package/lib/examples/basic-wrapper/controls.js +1 -1
- package/lib/examples/proteopedia-wrapper/ui/controls.js +1 -1
- package/lib/extensions/cellpack/model.js +4 -2
- package/lib/extensions/cellpack/state.js +2 -2
- package/lib/extensions/geo-export/ui.js +2 -2
- package/lib/extensions/model-export/ui.js +2 -2
- package/lib/extensions/mp4-export/ui.js +2 -2
- package/lib/extensions/rcsb/assembly-symmetry/ui.js +3 -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.js +2 -1
- package/lib/mol-canvas3d/helper/camera-helper.js +1 -1
- package/lib/mol-canvas3d/helper/handle-helper.js +1 -1
- package/lib/mol-canvas3d/helper/interaction-events.js +1 -1
- package/lib/mol-geo/geometry/text/text-builder.js +2 -1
- package/lib/mol-gl/shader-code.js +2 -1
- package/lib/mol-gl/webgl/buffer.js +2 -3
- package/lib/mol-io/common/binary-cif/classifier.js +3 -2
- package/lib/mol-io/common/binary-cif/decoder.js +4 -3
- 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/netcdf/reader.d.ts +78 -0
- package/lib/mol-io/common/netcdf/reader.js +456 -0
- package/lib/mol-io/reader/cif/schema/mmcif.d.ts +1 -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/prmtop/parser.d.ts +58 -0
- package/lib/mol-io/reader/prmtop/parser.js +168 -0
- 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/writer/cif/encoder.js +2 -1
- package/lib/mol-model/sequence/sequence.js +2 -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/structure/carbohydrates/constants.d.ts +1 -1
- package/lib/mol-model/structure/structure/carbohydrates/constants.js +6 -9
- package/lib/mol-model-formats/structure/basic/atomic.d.ts +1 -1
- package/lib/mol-model-formats/structure/basic/atomic.js +1 -14
- package/lib/mol-model-formats/structure/basic/parser.d.ts +1 -1
- package/lib/mol-model-formats/structure/basic/parser.js +1 -1
- package/lib/mol-model-formats/structure/basic/schema.d.ts +2 -2
- package/lib/mol-model-formats/structure/basic/schema.js +7 -2
- package/lib/mol-model-formats/structure/basic/util.d.ts +33 -2
- package/lib/mol-model-formats/structure/basic/util.js +24 -1
- package/lib/mol-model-formats/structure/cif-core.js +4 -4
- package/lib/mol-model-formats/structure/common/component.js +5 -1
- package/lib/mol-model-formats/structure/cube.js +3 -3
- package/lib/mol-model-formats/structure/gro.js +3 -1
- package/lib/mol-model-formats/structure/mmcif.d.ts +1 -1
- package/lib/mol-model-formats/structure/mmcif.js +4 -2
- package/lib/mol-model-formats/structure/mol.js +3 -3
- package/lib/mol-model-formats/structure/mol2.js +4 -4
- 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.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/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-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/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 +11 -2
- 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/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-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/sequence/sequence.js +1 -1
- package/lib/mol-plugin-ui/sequence.js +5 -5
- 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.js +1 -1
- 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-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 +16 -16
- 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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/**
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* Copyright (c) 2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
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*
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* @author Alexander Rose <alexander.rose@weirdbyte.de>
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*/
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/// <reference types="react" />
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import { CollapsableControls, CollapsableState } from '../../mol-plugin-ui/base';
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import { PluginContext } from '../../mol-plugin/context';
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import { ParamDefinition as PD } from '../../mol-util/param-definition';
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declare type ZenodoFile = {
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bucket: string;
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checksum: string;
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key: string;
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links: {
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[key: string]: string;
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self: string;
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};
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size: number;
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type: string;
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};
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declare type ZenodoRecord = {
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id: number;
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conceptdoi: string;
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conceptrecid: string;
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created: string;
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doi: string;
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files: ZenodoFile[];
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revision: number;
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updated: string;
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metadata: {
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title: string;
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};
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interface State {
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busy?: boolean;
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recordValues: PD.Values<typeof ZenodoImportParams>;
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importValues?: PD.Values<ImportParams>;
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importParams?: ImportParams;
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record?: ZenodoRecord;
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files?: ZenodoFile[];
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declare const ZenodoImportParams: {
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record: PD.Text<string>;
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};
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declare function createImportParams(files: ZenodoFile[], plugin: PluginContext): {
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type: PD.Mapped<PD.NamedParams<any, string> | PD.NamedParams<any, number>>;
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};
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declare type ImportParams = ReturnType<typeof createImportParams>;
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export declare class ZenodoImportUI extends CollapsableControls<{}, State> {
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protected defaultState(): State & CollapsableState;
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private recordParamsOnChange;
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private importParamsOnChange;
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private loadRecord;
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private loadFile;
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private clearRecord;
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private renderRecordInfo;
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export {};
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"use strict";
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Object.defineProperty(exports, "__esModule", { value: true });
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exports.ZenodoImportUI = void 0;
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var tslib_1 = require("tslib");
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var jsx_runtime_1 = require("react/jsx-runtime");
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/**
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* Copyright (c) 2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
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*
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* @author Alexander Rose <alexander.rose@weirdbyte.de>
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var file_1 = require("../../mol-plugin-state/actions/file");
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var structure_1 = require("../../mol-plugin-state/actions/structure");
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var volume_1 = require("../../mol-plugin-state/actions/volume");
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var coordinates_1 = require("../../mol-plugin-state/formats/coordinates");
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var topology_1 = require("../../mol-plugin-state/formats/topology");
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var trajectory_1 = require("../../mol-plugin-state/formats/trajectory");
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var volume_2 = require("../../mol-plugin-state/formats/volume");
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var base_1 = require("../../mol-plugin-ui/base");
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var common_1 = require("../../mol-plugin-ui/controls/common");
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var icons_1 = require("../../mol-plugin-ui/controls/icons");
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var parameters_1 = require("../../mol-plugin-ui/controls/parameters");
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var param_definition_1 = require("../../mol-util/param-definition");
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var ZenodoImportParams = {
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record: param_definition_1.ParamDefinition.Text('', { description: 'Zenodo ID.' })
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};
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function createImportParams(files, plugin) {
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var modelOpts = [];
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var topologyOpts = [];
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var coordinatesOpts = [];
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var volumeOpts = [];
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var compressedOpts = [];
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var structureExts = new Map();
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var coordinatesExts = new Map();
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var topologyExts = new Map();
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var volumeExts = new Map();
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for (var _i = 0, _a = plugin.dataFormats.list; _i < _a.length; _i++) {
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var _b = _a[_i], _c = _b.provider, category = _c.category, binaryExtensions = _c.binaryExtensions, stringExtensions = _c.stringExtensions, name_1 = _b.name;
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if (category === trajectory_1.TrajectoryFormatCategory) {
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if (binaryExtensions)
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for (var _d = 0, binaryExtensions_1 = binaryExtensions; _d < binaryExtensions_1.length; _d++) {
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var e = binaryExtensions_1[_d];
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structureExts.set(e, { format: name_1, isBinary: true });
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}
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if (stringExtensions)
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for (var _e = 0, stringExtensions_1 = stringExtensions; _e < stringExtensions_1.length; _e++) {
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structureExts.set(e, { format: name_1, isBinary: false });
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}
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}
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else if (category === volume_2.VolumeFormatCategory) {
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for (var _f = 0, binaryExtensions_2 = binaryExtensions; _f < binaryExtensions_2.length; _f++) {
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var e = binaryExtensions_2[_f];
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volumeExts.set(e, { format: name_1, isBinary: true });
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}
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if (stringExtensions)
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for (var _g = 0, stringExtensions_2 = stringExtensions; _g < stringExtensions_2.length; _g++) {
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var e = stringExtensions_2[_g];
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volumeExts.set(e, { format: name_1, isBinary: false });
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}
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}
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else if (category === coordinates_1.CoordinatesFormatCategory) {
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for (var _h = 0, binaryExtensions_3 = binaryExtensions; _h < binaryExtensions_3.length; _h++) {
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var e = binaryExtensions_3[_h];
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coordinatesExts.set(e, { format: name_1, isBinary: true });
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}
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if (stringExtensions)
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for (var _j = 0, stringExtensions_3 = stringExtensions; _j < stringExtensions_3.length; _j++) {
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coordinatesExts.set(e, { format: name_1, isBinary: false });
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}
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}
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else if (category === topology_1.TopologyFormatCategory) {
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for (var _k = 0, binaryExtensions_4 = binaryExtensions; _k < binaryExtensions_4.length; _k++) {
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var e = binaryExtensions_4[_k];
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topologyExts.set(e, { format: name_1, isBinary: true });
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}
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if (stringExtensions)
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for (var _l = 0, stringExtensions_4 = stringExtensions; _l < stringExtensions_4.length; _l++) {
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var e = stringExtensions_4[_l];
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topologyExts.set(e, { format: name_1, isBinary: false });
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}
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}
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}
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for (var _m = 0, files_1 = files; _m < files_1.length; _m++) {
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var file = files_1[_m];
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var label = "".concat(file.key, " (").concat((0, mol_util_1.formatBytes)(file.size), ")");
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if (structureExts.has(file.type)) {
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var _o = structureExts.get(file.type), format = _o.format, isBinary = _o.isBinary;
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modelOpts.push(["".concat(file.links.self, "|").concat(format, "|").concat(isBinary), label]);
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topologyOpts.push(["".concat(file.links.self, "|").concat(format, "|").concat(isBinary), label]);
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}
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else if (volumeExts.has(file.type)) {
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|
97
|
+
var _p = volumeExts.get(file.type), format = _p.format, isBinary = _p.isBinary;
|
|
98
|
+
volumeOpts.push(["".concat(file.links.self, "|").concat(format, "|").concat(isBinary), label]);
|
|
99
|
+
}
|
|
100
|
+
else if (topologyExts.has(file.type)) {
|
|
101
|
+
var _q = topologyExts.get(file.type), format = _q.format, isBinary = _q.isBinary;
|
|
102
|
+
topologyOpts.push(["".concat(file.links.self, "|").concat(format, "|").concat(isBinary), label]);
|
|
103
|
+
}
|
|
104
|
+
else if (coordinatesExts.has(file.type)) {
|
|
105
|
+
var _r = coordinatesExts.get(file.type), format = _r.format, isBinary = _r.isBinary;
|
|
106
|
+
coordinatesOpts.push(["".concat(file.links.self, "|").concat(format, "|").concat(isBinary), label]);
|
|
107
|
+
}
|
|
108
|
+
else if (file.type === 'zip') {
|
|
109
|
+
compressedOpts.push(["".concat(file.links.self, "|").concat(file.type, "|true"), label]);
|
|
110
|
+
}
|
|
111
|
+
}
|
|
112
|
+
var params = {};
|
|
113
|
+
var defaultType = '';
|
|
114
|
+
if (modelOpts.length) {
|
|
115
|
+
defaultType = 'structure';
|
|
116
|
+
params.structure = param_definition_1.ParamDefinition.Select(modelOpts[0][0], modelOpts);
|
|
117
|
+
}
|
|
118
|
+
if (topologyOpts.length && coordinatesOpts.length) {
|
|
119
|
+
if (!defaultType)
|
|
120
|
+
defaultType = 'trajectory';
|
|
121
|
+
params.trajectory = param_definition_1.ParamDefinition.Group({
|
|
122
|
+
topology: param_definition_1.ParamDefinition.Select(topologyOpts[0][0], topologyOpts),
|
|
123
|
+
coordinates: param_definition_1.ParamDefinition.Select(coordinatesOpts[0][0], coordinatesOpts),
|
|
124
|
+
}, { isFlat: true });
|
|
125
|
+
}
|
|
126
|
+
if (volumeOpts.length) {
|
|
127
|
+
if (!defaultType)
|
|
128
|
+
defaultType = 'volume';
|
|
129
|
+
params.volume = param_definition_1.ParamDefinition.Select(volumeOpts[0][0], volumeOpts);
|
|
130
|
+
}
|
|
131
|
+
if (compressedOpts.length) {
|
|
132
|
+
if (!defaultType)
|
|
133
|
+
defaultType = 'compressed';
|
|
134
|
+
params.compressed = param_definition_1.ParamDefinition.Select(compressedOpts[0][0], compressedOpts);
|
|
135
|
+
}
|
|
136
|
+
return {
|
|
137
|
+
type: param_definition_1.ParamDefinition.MappedStatic(defaultType, Object.keys(params).length ? params : { '': param_definition_1.ParamDefinition.EmptyGroup() })
|
|
138
|
+
};
|
|
139
|
+
}
|
|
140
|
+
var ZenodoImportUI = /** @class */ (function (_super) {
|
|
141
|
+
tslib_1.__extends(ZenodoImportUI, _super);
|
|
142
|
+
function ZenodoImportUI() {
|
|
143
|
+
var _this = _super !== null && _super.apply(this, arguments) || this;
|
|
144
|
+
_this.recordParamsOnChange = function (values) {
|
|
145
|
+
_this.setState({ recordValues: values });
|
|
146
|
+
};
|
|
147
|
+
_this.importParamsOnChange = function (values) {
|
|
148
|
+
_this.setState({ importValues: values });
|
|
149
|
+
};
|
|
150
|
+
_this.loadRecord = function () { return tslib_1.__awaiter(_this, void 0, void 0, function () {
|
|
151
|
+
var record, importParams, e_1;
|
|
152
|
+
return tslib_1.__generator(this, function (_a) {
|
|
153
|
+
switch (_a.label) {
|
|
154
|
+
case 0:
|
|
155
|
+
_a.trys.push([0, 2, , 3]);
|
|
156
|
+
this.setState({ busy: true });
|
|
157
|
+
return [4 /*yield*/, this.plugin.runTask(this.plugin.fetch({ url: "https://zenodo.org/api/records/".concat(this.state.recordValues.record), type: 'json' }))];
|
|
158
|
+
case 1:
|
|
159
|
+
record = _a.sent();
|
|
160
|
+
importParams = createImportParams(record.files, this.plugin);
|
|
161
|
+
this.setState({
|
|
162
|
+
record: record,
|
|
163
|
+
files: record.files,
|
|
164
|
+
busy: false,
|
|
165
|
+
importValues: param_definition_1.ParamDefinition.getDefaultValues(importParams),
|
|
166
|
+
importParams: importParams
|
|
167
|
+
});
|
|
168
|
+
return [3 /*break*/, 3];
|
|
169
|
+
case 2:
|
|
170
|
+
e_1 = _a.sent();
|
|
171
|
+
console.error(e_1);
|
|
172
|
+
this.plugin.log.error("Failed to load Zenodo record '".concat(this.state.recordValues.record, "'"));
|
|
173
|
+
this.setState({ busy: false });
|
|
174
|
+
return [3 /*break*/, 3];
|
|
175
|
+
case 3: return [2 /*return*/];
|
|
176
|
+
}
|
|
177
|
+
});
|
|
178
|
+
}); };
|
|
179
|
+
_this.loadFile = function (values) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
|
|
180
|
+
var t, defaultParams, _a, url, format, isBinary, _b, topologyUrl, topologyFormat, topologyIsBinary, _c, coordinatesUrl, coordinatesFormat, coordinatesIsBinary, _d, url, format, isBinary, _e, url, format, isBinary, e_2;
|
|
181
|
+
return tslib_1.__generator(this, function (_f) {
|
|
182
|
+
switch (_f.label) {
|
|
183
|
+
case 0:
|
|
184
|
+
_f.trys.push([0, 9, 10, 11]);
|
|
185
|
+
this.setState({ busy: true });
|
|
186
|
+
t = values.type;
|
|
187
|
+
if (!(t.name === 'structure')) return [3 /*break*/, 2];
|
|
188
|
+
defaultParams = structure_1.DownloadStructure.createDefaultParams(this.plugin.state.data.root.obj, this.plugin);
|
|
189
|
+
_a = t.params.split('|'), url = _a[0], format = _a[1], isBinary = _a[2];
|
|
190
|
+
return [4 /*yield*/, this.plugin.runTask(this.plugin.state.data.applyAction(structure_1.DownloadStructure, {
|
|
191
|
+
source: {
|
|
192
|
+
name: 'url',
|
|
193
|
+
params: {
|
|
194
|
+
url: url,
|
|
195
|
+
format: format,
|
|
196
|
+
isBinary: isBinary === 'true',
|
|
197
|
+
options: defaultParams.source.params.options,
|
|
198
|
+
}
|
|
199
|
+
}
|
|
200
|
+
}))];
|
|
201
|
+
case 1:
|
|
202
|
+
_f.sent();
|
|
203
|
+
return [3 /*break*/, 8];
|
|
204
|
+
case 2:
|
|
205
|
+
if (!(t.name === 'trajectory')) return [3 /*break*/, 4];
|
|
206
|
+
_b = t.params.topology.split('|'), topologyUrl = _b[0], topologyFormat = _b[1], topologyIsBinary = _b[2];
|
|
207
|
+
_c = t.params.coordinates.split('|'), coordinatesUrl = _c[0], coordinatesFormat = _c[1], coordinatesIsBinary = _c[2];
|
|
208
|
+
return [4 /*yield*/, this.plugin.runTask(this.plugin.state.data.applyAction(structure_1.LoadTrajectory, {
|
|
209
|
+
source: {
|
|
210
|
+
name: 'url',
|
|
211
|
+
params: {
|
|
212
|
+
model: {
|
|
213
|
+
url: topologyUrl,
|
|
214
|
+
format: topologyFormat,
|
|
215
|
+
isBinary: topologyIsBinary === 'true',
|
|
216
|
+
},
|
|
217
|
+
coordinates: {
|
|
218
|
+
url: coordinatesUrl,
|
|
219
|
+
format: coordinatesFormat,
|
|
220
|
+
isBinary: coordinatesIsBinary === 'true',
|
|
221
|
+
},
|
|
222
|
+
}
|
|
223
|
+
}
|
|
224
|
+
}))];
|
|
225
|
+
case 3:
|
|
226
|
+
_f.sent();
|
|
227
|
+
return [3 /*break*/, 8];
|
|
228
|
+
case 4:
|
|
229
|
+
if (!(t.name === 'volume')) return [3 /*break*/, 6];
|
|
230
|
+
_d = t.params.split('|'), url = _d[0], format = _d[1], isBinary = _d[2];
|
|
231
|
+
return [4 /*yield*/, this.plugin.runTask(this.plugin.state.data.applyAction(volume_1.DownloadDensity, {
|
|
232
|
+
source: {
|
|
233
|
+
name: 'url',
|
|
234
|
+
params: {
|
|
235
|
+
url: url,
|
|
236
|
+
format: format,
|
|
237
|
+
isBinary: isBinary === 'true',
|
|
238
|
+
}
|
|
239
|
+
}
|
|
240
|
+
}))];
|
|
241
|
+
case 5:
|
|
242
|
+
_f.sent();
|
|
243
|
+
return [3 /*break*/, 8];
|
|
244
|
+
case 6:
|
|
245
|
+
if (!(t.name === 'compressed')) return [3 /*break*/, 8];
|
|
246
|
+
_e = t.params.split('|'), url = _e[0], format = _e[1], isBinary = _e[2];
|
|
247
|
+
return [4 /*yield*/, this.plugin.runTask(this.plugin.state.data.applyAction(file_1.DownloadFile, {
|
|
248
|
+
url: url,
|
|
249
|
+
format: format,
|
|
250
|
+
isBinary: isBinary === 'true',
|
|
251
|
+
visuals: true
|
|
252
|
+
}))];
|
|
253
|
+
case 7:
|
|
254
|
+
_f.sent();
|
|
255
|
+
_f.label = 8;
|
|
256
|
+
case 8: return [3 /*break*/, 11];
|
|
257
|
+
case 9:
|
|
258
|
+
e_2 = _f.sent();
|
|
259
|
+
console.error(e_2);
|
|
260
|
+
this.plugin.log.error("Failed to load Zenodo file");
|
|
261
|
+
return [3 /*break*/, 11];
|
|
262
|
+
case 10:
|
|
263
|
+
this.setState({ busy: false });
|
|
264
|
+
return [7 /*endfinally*/];
|
|
265
|
+
case 11: return [2 /*return*/];
|
|
266
|
+
}
|
|
267
|
+
});
|
|
268
|
+
}); };
|
|
269
|
+
_this.clearRecord = function () {
|
|
270
|
+
_this.setState({
|
|
271
|
+
importValues: undefined,
|
|
272
|
+
importParams: undefined,
|
|
273
|
+
record: undefined,
|
|
274
|
+
files: undefined
|
|
275
|
+
});
|
|
276
|
+
};
|
|
277
|
+
return _this;
|
|
278
|
+
}
|
|
279
|
+
ZenodoImportUI.prototype.defaultState = function () {
|
|
280
|
+
return {
|
|
281
|
+
header: 'Zenodo Import',
|
|
282
|
+
isCollapsed: true,
|
|
283
|
+
brand: { accent: 'cyan', svg: icons_1.OpenInBrowserSvg },
|
|
284
|
+
recordValues: param_definition_1.ParamDefinition.getDefaultValues(ZenodoImportParams),
|
|
285
|
+
importValues: undefined,
|
|
286
|
+
importParams: undefined,
|
|
287
|
+
record: undefined,
|
|
288
|
+
files: undefined,
|
|
289
|
+
};
|
|
290
|
+
};
|
|
291
|
+
ZenodoImportUI.prototype.renderLoadRecord = function () {
|
|
292
|
+
return (0, jsx_runtime_1.jsxs)("div", tslib_1.__assign({ style: { marginBottom: 10 } }, { children: [(0, jsx_runtime_1.jsx)(parameters_1.ParameterControls, { params: ZenodoImportParams, values: this.state.recordValues, onChangeValues: this.recordParamsOnChange, isDisabled: this.state.busy }), (0, jsx_runtime_1.jsx)(common_1.Button, tslib_1.__assign({ onClick: this.loadRecord, style: { marginTop: 1 }, disabled: this.state.busy || !this.state.recordValues.record }, { children: "Load Record" }))] }));
|
|
293
|
+
};
|
|
294
|
+
ZenodoImportUI.prototype.renderRecordInfo = function (record) {
|
|
295
|
+
return (0, jsx_runtime_1.jsxs)("div", tslib_1.__assign({ style: { marginBottom: 10 } }, { children: [(0, jsx_runtime_1.jsx)("div", tslib_1.__assign({ className: 'msp-help-text' }, { children: (0, jsx_runtime_1.jsxs)("div", { children: ["Record ", "".concat(record.id), ": ", (0, jsx_runtime_1.jsx)("i", { children: "".concat(record.metadata.title) })] }) })), (0, jsx_runtime_1.jsx)(common_1.Button, tslib_1.__assign({ onClick: this.clearRecord, style: { marginTop: 1 }, disabled: this.state.busy }, { children: "Clear" }))] }));
|
|
296
|
+
};
|
|
297
|
+
ZenodoImportUI.prototype.renderImportFile = function (params, values) {
|
|
298
|
+
var _this = this;
|
|
299
|
+
return values.type.name ? (0, jsx_runtime_1.jsxs)("div", tslib_1.__assign({ style: { marginBottom: 10 } }, { children: [(0, jsx_runtime_1.jsx)(parameters_1.ParameterControls, { params: params, values: this.state.importValues, onChangeValues: this.importParamsOnChange, isDisabled: this.state.busy }), (0, jsx_runtime_1.jsx)(common_1.Button, tslib_1.__assign({ onClick: function () { return _this.loadFile(values); }, style: { marginTop: 1 }, disabled: this.state.busy }, { children: "Import File" }))] })) : (0, jsx_runtime_1.jsx)("div", tslib_1.__assign({ className: 'msp-help-text', style: { marginBottom: 10 } }, { children: (0, jsx_runtime_1.jsx)("div", { children: "No supported files" }) }));
|
|
300
|
+
};
|
|
301
|
+
ZenodoImportUI.prototype.renderControls = function () {
|
|
302
|
+
return (0, jsx_runtime_1.jsxs)(jsx_runtime_1.Fragment, { children: [!this.state.record ? this.renderLoadRecord() : null, this.state.record ? this.renderRecordInfo(this.state.record) : null, this.state.importParams && this.state.importValues ? this.renderImportFile(this.state.importParams, this.state.importValues) : null] });
|
|
303
|
+
};
|
|
304
|
+
return ZenodoImportUI;
|
|
305
|
+
}(base_1.CollapsableControls));
|
|
306
|
+
exports.ZenodoImportUI = ZenodoImportUI;
|
|
@@ -25,7 +25,7 @@ var StereoCamera = /** @class */ (function () {
|
|
|
25
25
|
this.parent = parent;
|
|
26
26
|
this.left = new EyeCamera();
|
|
27
27
|
this.right = new EyeCamera();
|
|
28
|
-
this.props =
|
|
28
|
+
this.props = tslib_1.__assign(tslib_1.__assign({}, exports.DefaultStereoCameraProps), props);
|
|
29
29
|
}
|
|
30
30
|
Object.defineProperty(StereoCamera.prototype, "viewport", {
|
|
31
31
|
get: function () {
|
|
@@ -11,6 +11,7 @@ var linear_algebra_1 = require("../mol-math/linear-algebra");
|
|
|
11
11
|
var util_1 = require("./camera/util");
|
|
12
12
|
var transition_1 = require("./camera/transition");
|
|
13
13
|
var rxjs_1 = require("rxjs");
|
|
14
|
+
var type_helpers_1 = require("../mol-util/type-helpers");
|
|
14
15
|
var tmpPos1 = (0, linear_algebra_1.Vec3)();
|
|
15
16
|
var tmpPos2 = (0, linear_algebra_1.Vec3)();
|
|
16
17
|
var tmpClip = (0, linear_algebra_1.Vec4)();
|
|
@@ -80,7 +81,7 @@ var Camera = /** @class */ (function () {
|
|
|
80
81
|
case 'perspective':
|
|
81
82
|
updatePers(this);
|
|
82
83
|
break;
|
|
83
|
-
default:
|
|
84
|
+
default: (0, type_helpers_1.assertUnreachable)(this.state.mode);
|
|
84
85
|
}
|
|
85
86
|
var changed = !linear_algebra_1.Mat4.areEqual(this.projection, this.prevProjection, linear_algebra_1.EPSILON) || !linear_algebra_1.Mat4.areEqual(this.view, this.prevView, linear_algebra_1.EPSILON);
|
|
86
87
|
if (changed) {
|
|
@@ -102,7 +102,7 @@ var Canvas3DContext;
|
|
|
102
102
|
};
|
|
103
103
|
function fromCanvas(canvas, attribs) {
|
|
104
104
|
if (attribs === void 0) { attribs = {}; }
|
|
105
|
-
var a =
|
|
105
|
+
var a = tslib_1.__assign(tslib_1.__assign({}, Canvas3DContext.DefaultAttribs), attribs);
|
|
106
106
|
var antialias = a.antialias, preserveDrawingBuffer = a.preserveDrawingBuffer, pixelScale = a.pixelScale, preferWebGl1 = a.preferWebGl1;
|
|
107
107
|
var gl = (0, context_1.getGLContext)(canvas, {
|
|
108
108
|
antialias: antialias,
|
|
@@ -190,7 +190,7 @@ var Canvas3D;
|
|
|
190
190
|
function create(_a, props) {
|
|
191
191
|
var webgl = _a.webgl, input = _a.input, passes = _a.passes, attribs = _a.attribs;
|
|
192
192
|
if (props === void 0) { props = {}; }
|
|
193
|
-
var p =
|
|
193
|
+
var p = tslib_1.__assign(tslib_1.__assign({}, exports.DefaultCanvas3DParams), props);
|
|
194
194
|
var reprRenderObjects = new Map();
|
|
195
195
|
var reprUpdatedSubscriptions = new Map();
|
|
196
196
|
var reprCount = new rxjs_1.BehaviorSubject(0);
|
|
@@ -397,8 +397,8 @@ var Canvas3D;
|
|
|
397
397
|
var duration = nextCameraResetDuration === undefined ? p.cameraResetDurationMs : nextCameraResetDuration;
|
|
398
398
|
var focus_1 = camera.getFocus(center, radius);
|
|
399
399
|
var next = typeof nextCameraResetSnapshot === 'function' ? nextCameraResetSnapshot(scene, camera) : nextCameraResetSnapshot;
|
|
400
|
-
var snapshot = next ?
|
|
401
|
-
camera.setState(
|
|
400
|
+
var snapshot = next ? tslib_1.__assign(tslib_1.__assign({}, focus_1), next) : focus_1;
|
|
401
|
+
camera.setState(tslib_1.__assign(tslib_1.__assign({}, snapshot), { radiusMax: scene.boundingSphere.radius }), duration);
|
|
402
402
|
}
|
|
403
403
|
nextCameraResetDuration = void 0;
|
|
404
404
|
nextCameraResetSnapshot = void 0;
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@@ -522,8 +522,8 @@ var Canvas3D;
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return {
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camera: {
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mode: camera.state.mode,
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helper:
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stereo:
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helper: tslib_1.__assign({}, helper.camera.props),
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stereo: tslib_1.__assign({}, p.camera.stereo),
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manualReset: !!p.camera.manualReset
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},
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cameraFog: camera.state.fog > 0
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@@ -533,14 +533,14 @@ var Canvas3D;
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cameraResetDurationMs: p.cameraResetDurationMs,
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transparentBackground: p.transparentBackground,
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viewport: p.viewport,
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postprocessing:
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marking:
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multiSample:
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renderer:
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trackball:
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interaction:
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debug:
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handle:
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postprocessing: tslib_1.__assign({}, p.postprocessing),
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marking: tslib_1.__assign({}, p.marking),
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multiSample: tslib_1.__assign({}, p.multiSample),
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renderer: tslib_1.__assign({}, renderer.props),
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trackball: tslib_1.__assign({}, controls.props),
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interaction: tslib_1.__assign({}, interactionHelper.props),
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debug: tslib_1.__assign({}, helper.debug.props),
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handle: tslib_1.__assign({}, helper.handle.props),
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};
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}
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var contextRestoredSub = contextRestored.subscribe(function () {
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@@ -71,7 +71,7 @@ var TrackballControls;
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(function (TrackballControls) {
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function create(input, camera, props) {
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if (props === void 0) { props = {}; }
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var p =
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var p = tslib_1.__assign(tslib_1.__assign({}, param_definition_1.ParamDefinition.getDefaultValues(exports.TrackballControlsParams)), props);
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var viewport = util_1.Viewport.clone(camera.viewport);
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var disposed = false;
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var dragSub = input.drag.subscribe(onDrag);
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@@ -31,7 +31,7 @@ var BoundingSphereHelper = /** @class */ (function () {
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this.instancesData = new Map();
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this.scene = scene_1.Scene.create(ctx, render_item_1.GraphicsRenderVariantsBlended);
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this.parent = parent;
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this._props =
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this._props = tslib_1.__assign(tslib_1.__assign({}, param_definition_1.ParamDefinition.getDefaultValues(exports.DebugHelperParams)), props);
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}
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BoundingSphereHelper.prototype.update = function () {
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var _this = this;
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@@ -7,7 +7,7 @@
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Object.defineProperty(exports, "__esModule", { value: true });
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exports.isCameraAxesLoci = exports.CameraHelper = exports.CameraHelperParams = void 0;
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var tslib_1 = require("tslib");
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var immer_1 =
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var immer_1 = tslib_1.__importDefault(require("immer"));
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var interval_1 = require("../../mol-data/int/interval");
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var cylinder_1 = require("../../mol-geo/geometry/mesh/builder/cylinder");
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var sphere_1 = require("../../mol-geo/geometry/mesh/builder/sphere");
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@@ -25,7 +25,7 @@ var marker_action_1 = require("../../mol-util/marker-action");
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var param_definition_1 = require("../../mol-util/param-definition");
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var camera_1 = require("../camera");
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// TODO add scale line/grid
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var AxesParams =
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var AxesParams = tslib_1.__assign(tslib_1.__assign({}, mesh_1.Mesh.Params), { alpha: tslib_1.__assign(tslib_1.__assign({}, mesh_1.Mesh.Params.alpha), { defaultValue: 0.51 }), ignoreLight: tslib_1.__assign(tslib_1.__assign({}, mesh_1.Mesh.Params.ignoreLight), { defaultValue: true }), colorX: param_definition_1.ParamDefinition.Color(names_1.ColorNames.red, { isEssential: true }), colorY: param_definition_1.ParamDefinition.Color(names_1.ColorNames.green, { isEssential: true }), colorZ: param_definition_1.ParamDefinition.Color(names_1.ColorNames.blue, { isEssential: true }), scale: param_definition_1.ParamDefinition.Numeric(0.33, { min: 0.1, max: 2, step: 0.1 }, { isEssential: true }) });
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exports.CameraHelperParams = {
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axes: param_definition_1.ParamDefinition.MappedStatic('on', {
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on: param_definition_1.ParamDefinition.Group(AxesParams),
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@@ -34,8 +34,8 @@ exports.CameraHelperParams = {
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};
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var CameraHelper = /** @class */ (function () {
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function CameraHelper(webgl, props) {
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var _this = this;
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if (props === void 0) { props = {}; }
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var _this = this;
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this.webgl = webgl;
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this.props = {
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axes: { name: 'off', params: {} }
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@@ -69,13 +69,13 @@ var CameraHelper = /** @class */ (function () {
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p.axes.name = props.axes.name;
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if (props.axes.name === 'on') {
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_this.scene.clear();
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var params =
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var params = tslib_1.__assign(tslib_1.__assign({}, props.axes.params), { scale: props.axes.params.scale * _this.webgl.pixelRatio });
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_this.renderObject = createAxesRenderObject(params);
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_this.scene.add(_this.renderObject);
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_this.scene.commit();
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linear_algebra_1.Vec3.set(_this.camera.position, 0, 0, params.scale * 200);
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linear_algebra_1.Mat4.lookAt(_this.camera.view, _this.camera.position, _this.camera.target, _this.camera.up);
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p.axes.params =
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p.axes.params = tslib_1.__assign({}, props.axes.params);
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}
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}
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});
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@@ -17,14 +17,14 @@ var cylinder_1 = require("../../mol-geo/geometry/mesh/builder/cylinder");
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var mol_util_1 = require("../../mol-util");
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var geometry_1 = require("../../mol-math/geometry");
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var param_definition_1 = require("../../mol-util/param-definition");
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var immer_1 =
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var immer_1 = tslib_1.__importDefault(require("immer"));
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var shape_1 = require("../../mol-model/shape");
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var loci_1 = require("../../mol-model/loci");
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var marker_action_1 = require("../../mol-util/marker-action");
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var visual_1 = require("../../mol-repr/visual");
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var int_1 = require("../../mol-data/int");
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var render_item_1 = require("../../mol-gl/webgl/render-item");
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var HandleParams =
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var HandleParams = tslib_1.__assign(tslib_1.__assign({}, mesh_1.Mesh.Params), { alpha: tslib_1.__assign(tslib_1.__assign({}, mesh_1.Mesh.Params.alpha), { defaultValue: 1 }), ignoreLight: tslib_1.__assign(tslib_1.__assign({}, mesh_1.Mesh.Params.ignoreLight), { defaultValue: true }), colorX: param_definition_1.ParamDefinition.Color(names_1.ColorNames.red, { isEssential: true }), colorY: param_definition_1.ParamDefinition.Color(names_1.ColorNames.green, { isEssential: true }), colorZ: param_definition_1.ParamDefinition.Color(names_1.ColorNames.blue, { isEssential: true }), scale: param_definition_1.ParamDefinition.Numeric(0.33, { min: 0.1, max: 2, step: 0.1 }, { isEssential: true }) });
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exports.HandleHelperParams = {
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handle: param_definition_1.ParamDefinition.MappedStatic('off', {
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on: param_definition_1.ParamDefinition.Group(HandleParams),
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@@ -33,8 +33,8 @@ exports.HandleHelperParams = {
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};
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var HandleHelper = /** @class */ (function () {
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function HandleHelper(webgl, props) {
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if (props === void 0) { props = {}; }
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var _this = this;
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this.webgl = webgl;
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this.props = {
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handle: { name: 'off', params: {} }
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@@ -74,11 +74,11 @@ var HandleHelper = /** @class */ (function () {
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p.handle.name = props.handle.name;
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if (props.handle.name === 'on') {
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_this.scene.clear();
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var params =
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var params = tslib_1.__assign(tslib_1.__assign({}, props.handle.params), { scale: props.handle.params.scale * _this.webgl.pixelRatio });
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_this.renderObject = createHandleRenderObject(params);
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_this.scene.add(_this.renderObject);
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_this.scene.commit();
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p.handle.params =
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p.handle.params = tslib_1.__assign({}, props.handle.params);
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}
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}
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});
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@@ -22,7 +22,7 @@ exports.DefaultHelperProps = param_definition_1.ParamDefinition.getDefaultValues
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var Helper = /** @class */ (function () {
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function Helper(webgl, scene, props) {
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if (props === void 0) { props = {}; }
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var p =
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var p = tslib_1.__assign(tslib_1.__assign({}, exports.DefaultHelperProps), props);
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this.debug = new bounding_sphere_helper_1.BoundingSphereHelper(webgl, scene, p.debug);
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this.camera = new camera_helper_1.CameraHelper(webgl, p.camera.helper);
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this.handle = new handle_helper_1.HandleHelper(webgl, p.handle);
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@@ -23,8 +23,8 @@ exports.Canvas3dInteractionHelperParams = {
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};
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var Canvas3dInteractionHelper = /** @class */ (function () {
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function Canvas3dInteractionHelper(canvasIdentify, lociGetter, input, camera, props) {
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var _this = this;
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if (props === void 0) { props = {}; }
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var _this = this;
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this.canvasIdentify = canvasIdentify;
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this.lociGetter = lociGetter;
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this.input = input;
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@@ -49,7 +49,7 @@ var Canvas3dInteractionHelper = /** @class */ (function () {
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this.buttons = input_observer_1.ButtonsType.create(0);
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this.button = input_observer_1.ButtonsType.create(0);
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this.modifiers = input_observer_1.ModifiersKeys.None;
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this.props =
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this.props = tslib_1.__assign(tslib_1.__assign({}, param_definition_1.ParamDefinition.getDefaultValues(exports.Canvas3dInteractionHelperParams)), props);
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input.drag.subscribe(function (_a) {
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var x = _a.x, y = _a.y, buttons = _a.buttons, button = _a.button, modifiers = _a.modifiers;
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_this.isInteracting = true;
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@@ -23,11 +23,11 @@ var wboit_1 = require("./wboit");
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var postprocessing_1 = require("./postprocessing");
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var marking_1 = require("./marking");
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var util_2 = require("../../mol-gl/compute/util");
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var DepthMergeSchema =
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var DepthMergeSchema = tslib_1.__assign(tslib_1.__assign({}, util_1.QuadSchema), { tDepthPrimitives: (0, schema_1.TextureSpec)('texture', 'depth', 'ushort', 'nearest'), tDepthVolumes: (0, schema_1.TextureSpec)('texture', 'depth', 'ushort', 'nearest'), uTexSize: (0, schema_1.UniformSpec)('v2'), dPackedDepth: (0, schema_1.DefineSpec)('boolean') });
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var DepthMergeShaderCode = (0, shader_code_1.ShaderCode)('depth-merge', quad_vert_1.quad_vert, depth_merge_frag_1.depthMerge_frag);
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function getDepthMergeRenderable(ctx, depthTexturePrimitives, depthTextureVolumes, packedDepth) {
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var values =
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var schema =
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var values = tslib_1.__assign(tslib_1.__assign({}, util_1.QuadValues), { tDepthPrimitives: mol_util_1.ValueCell.create(depthTexturePrimitives), tDepthVolumes: mol_util_1.ValueCell.create(depthTextureVolumes), uTexSize: mol_util_1.ValueCell.create(linear_algebra_1.Vec2.create(depthTexturePrimitives.getWidth(), depthTexturePrimitives.getHeight())), dPackedDepth: mol_util_1.ValueCell.create(packedDepth) });
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var schema = tslib_1.__assign({}, DepthMergeSchema);
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var renderItem = (0, render_item_1.createComputeRenderItem)(ctx, 'triangles', DepthMergeShaderCode, schema, values);
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return (0, renderable_1.createComputeRenderable)(renderItem, values);
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}
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