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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|
@@ -20,7 +20,7 @@ var download_1 = require("../../mol-util/download");
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|
|
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|
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? { name: 'on', params: tslib_1.__assign(tslib_1.__assign({}, aoProps.params), { samples: 128, resolutionScale: 1 }) }
|
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marking:
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marking: tslib_1.__assign({}, c.props.marking)
|
|
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|
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|
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Object.defineProperty(ViewportScreenshotHelper.prototype, "previewPass", {
|
|
@@ -157,10 +157,10 @@ var ViewportScreenshotHelper = /** @class */ (function (_super) {
|
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|
|
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|
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|
|
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postprocessing:
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|
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|
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? { name: 'on', params: tslib_1.__assign(tslib_1.__assign({}, aoProps.params), { samples: 128, resolutionScale: 1 }) }
|
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marking:
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|
|
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|
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|
|
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|
|
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|
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|
|
@@ -182,11 +182,11 @@ var ViewportScreenshotHelper = /** @class */ (function (_super) {
|
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|
|
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|
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|
|
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|
|
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|
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this.behaviors.cropParams.next(tslib_1.__assign(tslib_1.__assign({}, this.cropParams), { auto: false }));
|
|
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|
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|
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|
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|
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|
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|
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|
|
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|
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|
|
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|
};
|
|
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|
Object.defineProperty(ViewportScreenshotHelper.prototype, "isFullFrame", {
|
|
@@ -304,9 +304,9 @@ var ViewportScreenshotHelper = /** @class */ (function (_super) {
|
|
|
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|
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|
|
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|
};
|
|
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306
|
ViewportScreenshotHelper.prototype.draw = function (ctx) {
|
|
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|
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return
|
|
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|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
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|
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|
|
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|
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return
|
|
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|
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|
|
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|
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|
|
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|
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|
|
312
312
|
_a = this.getSizeAndViewport(), width = _a.width, height = _a.height, viewport = _a.viewport;
|
|
@@ -338,9 +338,9 @@ var ViewportScreenshotHelper = /** @class */ (function (_super) {
|
|
|
338
338
|
this.plugin.log.error('clipboard.write not supported!');
|
|
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339
|
return;
|
|
340
340
|
}
|
|
341
|
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return mol_task_1.Task.create('Copy Image', function (ctx) { return
|
|
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|
+
return mol_task_1.Task.create('Copy Image', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
|
|
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|
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|
|
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|
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return
|
|
343
|
+
return tslib_1.__generator(this, function (_a) {
|
|
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344
|
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|
|
345
345
|
case 0: return [4 /*yield*/, this.draw(ctx)];
|
|
346
346
|
case 1:
|
|
@@ -363,8 +363,8 @@ var ViewportScreenshotHelper = /** @class */ (function (_super) {
|
|
|
363
363
|
};
|
|
364
364
|
ViewportScreenshotHelper.prototype.getImageDataUri = function () {
|
|
365
365
|
var _this = this;
|
|
366
|
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return this.plugin.runTask(mol_task_1.Task.create('Generate Image', function (ctx) { return
|
|
367
|
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return
|
|
366
|
+
return this.plugin.runTask(mol_task_1.Task.create('Generate Image', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
|
|
367
|
+
return tslib_1.__generator(this, function (_a) {
|
|
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|
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|
|
369
369
|
case 0: return [4 /*yield*/, this.draw(ctx)];
|
|
370
370
|
case 1:
|
|
@@ -385,9 +385,9 @@ var ViewportScreenshotHelper = /** @class */ (function (_super) {
|
|
|
385
385
|
};
|
|
386
386
|
ViewportScreenshotHelper.prototype.downloadTask = function (filename) {
|
|
387
387
|
var _this = this;
|
|
388
|
-
return mol_task_1.Task.create('Download Image', function (ctx) { return
|
|
388
|
+
return mol_task_1.Task.create('Download Image', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
|
|
389
389
|
var blob;
|
|
390
|
-
return
|
|
390
|
+
return tslib_1.__generator(this, function (_a) {
|
|
391
391
|
switch (_a.label) {
|
|
392
392
|
case 0: return [4 /*yield*/, this.draw(ctx)];
|
|
393
393
|
case 1:
|
|
@@ -1,6 +1,6 @@
|
|
|
1
1
|
"use strict";
|
|
2
2
|
/**
|
|
3
|
-
* Copyright (c) 2019-
|
|
3
|
+
* Copyright (c) 2019-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
4
4
|
*
|
|
5
5
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
6
6
|
*/
|
|
@@ -14,6 +14,41 @@ var file_info_1 = require("../../mol-util/file-info");
|
|
|
14
14
|
var param_definition_1 = require("../../mol-util/param-definition");
|
|
15
15
|
var zip_1 = require("../../mol-util/zip/zip");
|
|
16
16
|
var objects_1 = require("../objects");
|
|
17
|
+
function processFile(file, plugin, format, visuals) {
|
|
18
|
+
var _a, _b;
|
|
19
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
20
|
+
var info, isBinary, data, provider, parsed;
|
|
21
|
+
return tslib_1.__generator(this, function (_c) {
|
|
22
|
+
switch (_c.label) {
|
|
23
|
+
case 0:
|
|
24
|
+
info = (0, file_info_1.getFileInfo)(file.file);
|
|
25
|
+
isBinary = plugin.dataFormats.binaryExtensions.has(info.ext);
|
|
26
|
+
return [4 /*yield*/, plugin.builders.data.readFile({ file: file, isBinary: isBinary })];
|
|
27
|
+
case 1:
|
|
28
|
+
data = (_c.sent()).data;
|
|
29
|
+
provider = format === 'auto'
|
|
30
|
+
? plugin.dataFormats.auto(info, (_a = data.cell) === null || _a === void 0 ? void 0 : _a.obj)
|
|
31
|
+
: plugin.dataFormats.get(format);
|
|
32
|
+
if (!!provider) return [3 /*break*/, 3];
|
|
33
|
+
plugin.log.warn("OpenFiles: could not find data provider for '".concat(info.ext, "'"));
|
|
34
|
+
return [4 /*yield*/, plugin.state.data.build().delete(data).commit()];
|
|
35
|
+
case 2:
|
|
36
|
+
_c.sent();
|
|
37
|
+
return [2 /*return*/];
|
|
38
|
+
case 3: return [4 /*yield*/, provider.parse(plugin, data)];
|
|
39
|
+
case 4:
|
|
40
|
+
parsed = _c.sent();
|
|
41
|
+
if (!visuals) return [3 /*break*/, 6];
|
|
42
|
+
return [4 /*yield*/, ((_b = provider.visuals) === null || _b === void 0 ? void 0 : _b.call(provider, plugin, parsed))];
|
|
43
|
+
case 5:
|
|
44
|
+
_c.sent();
|
|
45
|
+
_c.label = 6;
|
|
46
|
+
case 6: return [2 /*return*/];
|
|
47
|
+
}
|
|
48
|
+
});
|
|
49
|
+
});
|
|
50
|
+
}
|
|
51
|
+
;
|
|
17
52
|
exports.OpenFiles = mol_state_1.StateAction.build({
|
|
18
53
|
display: { name: 'Open Files', description: 'Load one or more files and optionally create default visuals' },
|
|
19
54
|
from: objects_1.PluginStateObject.Root,
|
|
@@ -30,50 +65,20 @@ exports.OpenFiles = mol_state_1.StateAction.build({
|
|
|
30
65
|
}
|
|
31
66
|
})(function (_a, plugin) {
|
|
32
67
|
var params = _a.params, state = _a.state;
|
|
33
|
-
return mol_task_1.Task.create('Open Files', function (taskCtx) { return
|
|
34
|
-
return
|
|
68
|
+
return mol_task_1.Task.create('Open Files', function (taskCtx) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
|
|
69
|
+
return tslib_1.__generator(this, function (_a) {
|
|
35
70
|
switch (_a.label) {
|
|
36
71
|
case 0:
|
|
37
72
|
plugin.behaviors.layout.leftPanelTabName.next('data');
|
|
38
|
-
return [4 /*yield*/, state.transaction(function () { return
|
|
39
|
-
var
|
|
40
|
-
return
|
|
73
|
+
return [4 /*yield*/, state.transaction(function () { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
|
|
74
|
+
var _i, _a, file, zippedFiles, _b, _c, _d, _e, _f, fn, filedata, asset, format, e_1;
|
|
75
|
+
return tslib_1.__generator(this, function (_g) {
|
|
41
76
|
switch (_g.label) {
|
|
42
77
|
case 0:
|
|
43
78
|
if (params.files === null) {
|
|
44
79
|
plugin.log.error('No file(s) selected');
|
|
45
80
|
return [2 /*return*/];
|
|
46
81
|
}
|
|
47
|
-
processFile = function (file) { return (0, tslib_1.__awaiter)(void 0, void 0, void 0, function () {
|
|
48
|
-
var info, isBinary, data, provider, parsed;
|
|
49
|
-
var _a, _b;
|
|
50
|
-
return (0, tslib_1.__generator)(this, function (_c) {
|
|
51
|
-
switch (_c.label) {
|
|
52
|
-
case 0:
|
|
53
|
-
info = (0, file_info_1.getFileInfo)(file.file);
|
|
54
|
-
isBinary = plugin.dataFormats.binaryExtensions.has(info.ext);
|
|
55
|
-
return [4 /*yield*/, plugin.builders.data.readFile({ file: file, isBinary: isBinary })];
|
|
56
|
-
case 1:
|
|
57
|
-
data = (_c.sent()).data;
|
|
58
|
-
provider = params.format.name === 'auto'
|
|
59
|
-
? plugin.dataFormats.auto(info, (_a = data.cell) === null || _a === void 0 ? void 0 : _a.obj)
|
|
60
|
-
: plugin.dataFormats.get(params.format.params);
|
|
61
|
-
if (!provider) {
|
|
62
|
-
plugin.log.warn("OpenFiles: could not find data provider for '".concat(info.name, ".").concat(info.ext, "'"));
|
|
63
|
-
return [2 /*return*/];
|
|
64
|
-
}
|
|
65
|
-
return [4 /*yield*/, provider.parse(plugin, data)];
|
|
66
|
-
case 2:
|
|
67
|
-
parsed = _c.sent();
|
|
68
|
-
if (!params.visuals) return [3 /*break*/, 4];
|
|
69
|
-
return [4 /*yield*/, ((_b = provider.visuals) === null || _b === void 0 ? void 0 : _b.call(provider, plugin, parsed))];
|
|
70
|
-
case 3:
|
|
71
|
-
_c.sent();
|
|
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|
-
_c.label = 4;
|
|
73
|
-
case 4: return [2 /*return*/];
|
|
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|
-
}
|
|
75
|
-
});
|
|
76
|
-
}); };
|
|
77
82
|
_i = 0, _a = params.files;
|
|
78
83
|
_g.label = 1;
|
|
79
84
|
case 1:
|
|
@@ -94,8 +99,10 @@ exports.OpenFiles = mol_state_1.StateAction.build({
|
|
|
94
99
|
case 5:
|
|
95
100
|
if (!(_d < _e.length)) return [3 /*break*/, 8];
|
|
96
101
|
_f = _e[_d], fn = _f[0], filedata = _f[1];
|
|
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|
+
if (!(filedata instanceof Uint8Array) || filedata.length === 0)
|
|
103
|
+
return [3 /*break*/, 7];
|
|
97
104
|
asset = assets_1.Asset.File(new File([filedata], fn));
|
|
98
|
-
return [4 /*yield*/, processFile(asset)];
|
|
105
|
+
return [4 /*yield*/, processFile(asset, plugin, 'auto', params.visuals)];
|
|
99
106
|
case 6:
|
|
100
107
|
_g.sent();
|
|
101
108
|
_g.label = 7;
|
|
@@ -103,7 +110,9 @@ exports.OpenFiles = mol_state_1.StateAction.build({
|
|
|
103
110
|
_d++;
|
|
104
111
|
return [3 /*break*/, 5];
|
|
105
112
|
case 8: return [3 /*break*/, 11];
|
|
106
|
-
case 9:
|
|
113
|
+
case 9:
|
|
114
|
+
format = params.format.name === 'auto' ? 'auto' : params.format.params;
|
|
115
|
+
return [4 /*yield*/, processFile(file, plugin, format, params.visuals)];
|
|
107
116
|
case 10:
|
|
108
117
|
_g.sent();
|
|
109
118
|
_g.label = 11;
|
|
@@ -131,7 +140,7 @@ exports.DownloadFile = mol_state_1.StateAction.build({
|
|
|
131
140
|
display: { name: 'Download File', description: 'Load one or more file from an URL' },
|
|
132
141
|
from: objects_1.PluginStateObject.Root,
|
|
133
142
|
params: function (a, ctx) {
|
|
134
|
-
var options = ctx.dataFormats.options;
|
|
143
|
+
var options = tslib_1.__spreadArray(tslib_1.__spreadArray([], ctx.dataFormats.options, true), [['zip', 'Zip']], false);
|
|
135
144
|
return {
|
|
136
145
|
url: param_definition_1.ParamDefinition.Url(''),
|
|
137
146
|
format: param_definition_1.ParamDefinition.Select(options[0][0], options),
|
|
@@ -141,41 +150,65 @@ exports.DownloadFile = mol_state_1.StateAction.build({
|
|
|
141
150
|
}
|
|
142
151
|
})(function (_a, plugin) {
|
|
143
152
|
var params = _a.params, state = _a.state;
|
|
144
|
-
return mol_task_1.Task.create('Open Files', function (taskCtx) { return
|
|
145
|
-
return
|
|
153
|
+
return mol_task_1.Task.create('Open Files', function (taskCtx) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
|
|
154
|
+
return tslib_1.__generator(this, function (_a) {
|
|
146
155
|
switch (_a.label) {
|
|
147
156
|
case 0:
|
|
148
157
|
plugin.behaviors.layout.leftPanelTabName.next('data');
|
|
149
|
-
return [4 /*yield*/, state.transaction(function () { return
|
|
150
|
-
var provider, data, parsed, e_2;
|
|
151
|
-
var
|
|
152
|
-
return
|
|
153
|
-
switch (
|
|
158
|
+
return [4 /*yield*/, state.transaction(function () { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
|
|
159
|
+
var data, zippedFiles, _i, _a, _b, fn, filedata, asset, provider, data, parsed, e_2;
|
|
160
|
+
var _c, _d;
|
|
161
|
+
return tslib_1.__generator(this, function (_e) {
|
|
162
|
+
switch (_e.label) {
|
|
154
163
|
case 0:
|
|
155
|
-
|
|
164
|
+
_e.trys.push([0, 12, , 13]);
|
|
165
|
+
if (!(params.format === 'zip')) return [3 /*break*/, 7];
|
|
166
|
+
return [4 /*yield*/, plugin.builders.data.download({ url: params.url, isBinary: true })];
|
|
167
|
+
case 1:
|
|
168
|
+
data = _e.sent();
|
|
169
|
+
return [4 /*yield*/, (0, zip_1.unzip)(taskCtx, ((_c = data.obj) === null || _c === void 0 ? void 0 : _c.data).buffer)];
|
|
170
|
+
case 2:
|
|
171
|
+
zippedFiles = _e.sent();
|
|
172
|
+
_i = 0, _a = Object.entries(zippedFiles);
|
|
173
|
+
_e.label = 3;
|
|
174
|
+
case 3:
|
|
175
|
+
if (!(_i < _a.length)) return [3 /*break*/, 6];
|
|
176
|
+
_b = _a[_i], fn = _b[0], filedata = _b[1];
|
|
177
|
+
if (!(filedata instanceof Uint8Array) || filedata.length === 0)
|
|
178
|
+
return [3 /*break*/, 5];
|
|
179
|
+
asset = assets_1.Asset.File(new File([filedata], fn));
|
|
180
|
+
return [4 /*yield*/, processFile(asset, plugin, 'auto', params.visuals)];
|
|
181
|
+
case 4:
|
|
182
|
+
_e.sent();
|
|
183
|
+
_e.label = 5;
|
|
184
|
+
case 5:
|
|
185
|
+
_i++;
|
|
186
|
+
return [3 /*break*/, 3];
|
|
187
|
+
case 6: return [3 /*break*/, 11];
|
|
188
|
+
case 7:
|
|
156
189
|
provider = plugin.dataFormats.get(params.format);
|
|
157
190
|
if (!provider) {
|
|
158
191
|
plugin.log.warn("DownloadFile: could not find data provider for '".concat(params.format, "'"));
|
|
159
192
|
return [2 /*return*/];
|
|
160
193
|
}
|
|
161
194
|
return [4 /*yield*/, plugin.builders.data.download({ url: params.url, isBinary: params.isBinary })];
|
|
162
|
-
case
|
|
163
|
-
data =
|
|
195
|
+
case 8:
|
|
196
|
+
data = _e.sent();
|
|
164
197
|
return [4 /*yield*/, provider.parse(plugin, data)];
|
|
165
|
-
case
|
|
166
|
-
parsed =
|
|
167
|
-
if (!params.visuals) return [3 /*break*/,
|
|
168
|
-
return [4 /*yield*/, ((
|
|
169
|
-
case
|
|
170
|
-
|
|
171
|
-
|
|
172
|
-
case
|
|
173
|
-
case
|
|
174
|
-
e_2 =
|
|
198
|
+
case 9:
|
|
199
|
+
parsed = _e.sent();
|
|
200
|
+
if (!params.visuals) return [3 /*break*/, 11];
|
|
201
|
+
return [4 /*yield*/, ((_d = provider.visuals) === null || _d === void 0 ? void 0 : _d.call(provider, plugin, parsed))];
|
|
202
|
+
case 10:
|
|
203
|
+
_e.sent();
|
|
204
|
+
_e.label = 11;
|
|
205
|
+
case 11: return [3 /*break*/, 13];
|
|
206
|
+
case 12:
|
|
207
|
+
e_2 = _e.sent();
|
|
175
208
|
console.error(e_2);
|
|
176
209
|
plugin.log.error("Error downloading '".concat(typeof params.url === 'string' ? params.url : params.url.url, "'"));
|
|
177
|
-
return [3 /*break*/,
|
|
178
|
-
case
|
|
210
|
+
return [3 /*break*/, 13];
|
|
211
|
+
case 13: return [2 /*return*/];
|
|
179
212
|
}
|
|
180
213
|
});
|
|
181
214
|
}); }).runInContext(taskCtx)];
|
|
@@ -1,5 +1,5 @@
|
|
|
1
1
|
/**
|
|
2
|
-
* Copyright (c) 2018-
|
|
2
|
+
* Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
3
3
|
*
|
|
4
4
|
* @author David Sehnal <david.sehnal@gmail.com>
|
|
5
5
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
@@ -9,7 +9,7 @@ import { ParamDefinition as PD } from '../../mol-util/param-definition';
|
|
|
9
9
|
import { PluginStateObject } from '../objects';
|
|
10
10
|
export declare const PdbDownloadProvider: {
|
|
11
11
|
rcsb: PD.Group<PD.Normalize<{
|
|
12
|
-
encoding: "
|
|
12
|
+
encoding: "cif" | "bcif";
|
|
13
13
|
}>>;
|
|
14
14
|
pdbe: PD.Group<PD.Normalize<{
|
|
15
15
|
variant: "updated" | "updated-bcif" | "updtaed-bcif" | "archival";
|
|
@@ -26,6 +26,12 @@ declare const DownloadStructure: StateAction<PluginStateObject.Root, void, PD.No
|
|
|
26
26
|
isBinary: any;
|
|
27
27
|
options: any;
|
|
28
28
|
}>, "url"> | PD.NamedParams<PD.Normalize<{
|
|
29
|
+
id: any;
|
|
30
|
+
options: any;
|
|
31
|
+
}>, "alphafolddb"> | PD.NamedParams<PD.Normalize<{
|
|
32
|
+
id: any;
|
|
33
|
+
options: any;
|
|
34
|
+
}>, "modelarchive"> | PD.NamedParams<PD.Normalize<{
|
|
29
35
|
provider: any;
|
|
30
36
|
options: any;
|
|
31
37
|
}>, "pdb"> | PD.NamedParams<PD.Normalize<{
|
|
@@ -37,12 +43,6 @@ declare const DownloadStructure: StateAction<PluginStateObject.Root, void, PD.No
|
|
|
37
43
|
}>, "swissmodel"> | PD.NamedParams<PD.Normalize<{
|
|
38
44
|
id: any;
|
|
39
45
|
options: any;
|
|
40
|
-
}>, "alphafolddb"> | PD.NamedParams<PD.Normalize<{
|
|
41
|
-
id: any;
|
|
42
|
-
options: any;
|
|
43
|
-
}>, "modelarchive"> | PD.NamedParams<PD.Normalize<{
|
|
44
|
-
id: any;
|
|
45
|
-
options: any;
|
|
46
46
|
}>, "pubchem">;
|
|
47
47
|
}>>;
|
|
48
48
|
export declare const UpdateTrajectory: StateAction<import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, void, PD.Normalize<{
|
|
@@ -65,3 +65,12 @@ export declare const AddTrajectory: StateAction<PluginStateObject.Root, void, PD
|
|
|
65
65
|
model: string;
|
|
66
66
|
coordinates: string;
|
|
67
67
|
}>>;
|
|
68
|
+
export declare const LoadTrajectory: StateAction<PluginStateObject.Root, void, PD.Normalize<{
|
|
69
|
+
source: PD.NamedParams<PD.Normalize<{
|
|
70
|
+
model: any;
|
|
71
|
+
coordinates: any;
|
|
72
|
+
}>, "url"> | PD.NamedParams<PD.Normalize<{
|
|
73
|
+
model: any;
|
|
74
|
+
coordinates: any;
|
|
75
|
+
}>, "file">;
|
|
76
|
+
}>>;
|