molstar 3.3.0 → 3.5.0
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/lib/apps/docking-viewer/index.html +36 -36
- 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/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/cif2bcif/converter.js +1 -1
- package/lib/cli/cif2bcif/index.js +4 -4
- 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 +12 -12
- 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/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.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.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 +22 -5
- 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.d.ts +2 -2
- 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.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.js +3 -3
- 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.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.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.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.d.ts +1 -1
- package/lib/commonjs/mol-gl/webgl/context.js +5 -5
- 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/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 +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 +9 -6
- 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.d.ts +1 -0
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.js +6 -4
- 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 +5 -22
- 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
- package/lib/commonjs/mol-model-props/computed/interactions/common.js +1 -1
- package/lib/commonjs/mol-model-props/computed/interactions/contacts.js +1 -1
- package/lib/commonjs/mol-model-props/computed/interactions/features.js +1 -1
- package/lib/commonjs/mol-model-props/computed/interactions/hydrogen-bonds.js +3 -3
- package/lib/commonjs/mol-model-props/computed/interactions/interactions.js +3 -3
- package/lib/commonjs/mol-model-props/computed/interactions.js +4 -4
- package/lib/commonjs/mol-model-props/computed/representations/interactions-inter-unit-cylinder.js +10 -4
- package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js +12 -7
- package/lib/commonjs/mol-model-props/computed/representations/interactions.js +1 -1
- package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp.js +2 -2
- package/lib/commonjs/mol-model-props/computed/secondary-structure.js +7 -7
- package/lib/commonjs/mol-model-props/computed/valence-model.js +4 -4
- package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/property.js +2 -2
- package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/representation.js +12 -3
- package/lib/commonjs/mol-model-props/sequence/sifts-mapping.js +2 -2
- package/lib/commonjs/mol-model-props/sequence/themes/sifts-mapping.js +3 -3
- package/lib/commonjs/mol-plugin/animation-loop.js +2 -2
- package/lib/commonjs/mol-plugin/behavior/behavior.js +5 -5
- package/lib/commonjs/mol-plugin/behavior/dynamic/camera.js +2 -2
- package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props/computed/accessible-surface-area.js +1 -1
- package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props/computed/interactions.js +1 -1
- package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props/computed/secondary-structure.js +1 -1
- package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props/computed/valence-model.js +1 -1
- package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props/integrative/cross-link-restraint.js +1 -1
- package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props/sequence/sifts-mapping.js +1 -1
- package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props/structure-info.js +2 -2
- package/lib/commonjs/mol-plugin/behavior/dynamic/representation.js +3 -3
- package/lib/commonjs/mol-plugin/behavior/dynamic/selection/structure-focus-representation.js +11 -11
- package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/behavior.js +12 -12
- package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/model.d.ts +2 -3
- package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/model.js +1 -1
- package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/transformers.js +16 -16
- package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/util.js +10 -10
- package/lib/commonjs/mol-plugin/behavior/static/state.js +6 -6
- package/lib/commonjs/mol-plugin/behavior.js +8 -8
- package/lib/commonjs/mol-plugin/command.js +2 -2
- package/lib/commonjs/mol-plugin/context.d.ts +2 -1
- package/lib/commonjs/mol-plugin/context.js +9 -8
- package/lib/commonjs/mol-plugin/layout.js +2 -2
- package/lib/commonjs/mol-plugin/spec.js +1 -1
- package/lib/commonjs/mol-plugin/state.js +5 -5
- package/lib/commonjs/mol-plugin/util/task-manager.js +4 -4
- package/lib/commonjs/mol-plugin/util/toast.js +1 -1
- package/lib/commonjs/mol-plugin/util/viewport-screenshot.js +17 -17
- package/lib/commonjs/mol-plugin-state/actions/file.d.ts +1 -1
- package/lib/commonjs/mol-plugin-state/actions/file.js +94 -61
- package/lib/commonjs/mol-plugin-state/actions/structure.d.ts +11 -2
- package/lib/commonjs/mol-plugin-state/actions/structure.js +190 -20
- package/lib/commonjs/mol-plugin-state/actions/volume.js +5 -4
- package/lib/commonjs/mol-plugin-state/actions.js +3 -3
- package/lib/commonjs/mol-plugin-state/animation/built-in/assembly-unwind.js +2 -2
- package/lib/commonjs/mol-plugin-state/animation/built-in/camera-rock.js +3 -3
- package/lib/commonjs/mol-plugin-state/animation/built-in/camera-spin.js +3 -3
- package/lib/commonjs/mol-plugin-state/animation/built-in/explode-units.js +4 -4
- package/lib/commonjs/mol-plugin-state/animation/built-in/model-index.js +2 -2
- package/lib/commonjs/mol-plugin-state/animation/built-in/spin-structure.js +5 -5
- package/lib/commonjs/mol-plugin-state/animation/built-in/state-interpolation.js +2 -2
- package/lib/commonjs/mol-plugin-state/animation/built-in/state-snapshots.js +5 -5
- package/lib/commonjs/mol-plugin-state/builder/data.js +2 -2
- package/lib/commonjs/mol-plugin-state/builder/structure/hierarchy-preset.js +16 -16
- package/lib/commonjs/mol-plugin-state/builder/structure/representation-preset.js +28 -28
- package/lib/commonjs/mol-plugin-state/builder/structure/representation.js +2 -2
- package/lib/commonjs/mol-plugin-state/builder/structure.js +7 -7
- package/lib/commonjs/mol-plugin-state/component.js +1 -1
- package/lib/commonjs/mol-plugin-state/formats/{structure.d.ts → coordinates.d.ts} +34 -18
- package/lib/commonjs/mol-plugin-state/formats/coordinates.js +70 -0
- package/lib/commonjs/mol-plugin-state/formats/registry.d.ts +3 -3
- package/lib/commonjs/mol-plugin-state/formats/registry.js +13 -8
- package/lib/commonjs/mol-plugin-state/formats/shape.js +2 -2
- package/lib/commonjs/mol-plugin-state/formats/topology.d.ts +73 -0
- package/lib/commonjs/mol-plugin-state/formats/topology.js +87 -0
- package/lib/commonjs/mol-plugin-state/formats/trajectory.js +6 -6
- package/lib/commonjs/mol-plugin-state/formats/volume.js +21 -21
- package/lib/commonjs/mol-plugin-state/helpers/root-structure.js +15 -15
- package/lib/commonjs/mol-plugin-state/helpers/structure-clipping.js +7 -7
- package/lib/commonjs/mol-plugin-state/helpers/structure-component.js +2 -1
- package/lib/commonjs/mol-plugin-state/helpers/structure-overpaint.js +11 -11
- package/lib/commonjs/mol-plugin-state/helpers/structure-selection-query.js +3 -3
- package/lib/commonjs/mol-plugin-state/helpers/structure-substance.js +11 -11
- package/lib/commonjs/mol-plugin-state/helpers/structure-transparency.js +11 -11
- package/lib/commonjs/mol-plugin-state/manager/animation.js +17 -17
- package/lib/commonjs/mol-plugin-state/manager/camera.js +1 -1
- package/lib/commonjs/mol-plugin-state/manager/interactivity.js +6 -6
- package/lib/commonjs/mol-plugin-state/manager/snapshots.js +14 -14
- package/lib/commonjs/mol-plugin-state/manager/structure/component.js +26 -26
- package/lib/commonjs/mol-plugin-state/manager/structure/focus.js +2 -2
- package/lib/commonjs/mol-plugin-state/manager/structure/hierarchy-state.js +1 -1
- package/lib/commonjs/mol-plugin-state/manager/structure/hierarchy.js +8 -8
- package/lib/commonjs/mol-plugin-state/manager/structure/measurement.js +21 -21
- package/lib/commonjs/mol-plugin-state/manager/structure/selection.js +3 -3
- package/lib/commonjs/mol-plugin-state/manager/volume/hierarchy.js +1 -1
- package/lib/commonjs/mol-plugin-state/objects.d.ts +47 -1
- package/lib/commonjs/mol-plugin-state/objects.js +46 -30
- package/lib/commonjs/mol-plugin-state/transforms/data.d.ts +6 -0
- package/lib/commonjs/mol-plugin-state/transforms/data.js +93 -41
- package/lib/commonjs/mol-plugin-state/transforms/model.d.ts +14 -2
- package/lib/commonjs/mol-plugin-state/transforms/model.js +163 -54
- package/lib/commonjs/mol-plugin-state/transforms/representation.js +77 -77
- package/lib/commonjs/mol-plugin-state/transforms/shape.js +2 -2
- package/lib/commonjs/mol-plugin-state/transforms/volume.js +16 -16
- package/lib/commonjs/mol-plugin-state/transforms.js +6 -6
- package/lib/commonjs/mol-plugin-ui/base.js +5 -5
- package/lib/commonjs/mol-plugin-ui/context.js +1 -1
- package/lib/commonjs/mol-plugin-ui/controls/action-menu.js +14 -14
- package/lib/commonjs/mol-plugin-ui/controls/color.js +7 -7
- package/lib/commonjs/mol-plugin-ui/controls/common.js +16 -16
- package/lib/commonjs/mol-plugin-ui/controls/icons.js +70 -70
- package/lib/commonjs/mol-plugin-ui/controls/legend.js +7 -7
- package/lib/commonjs/mol-plugin-ui/controls/line-graph/line-graph-component.js +3 -3
- package/lib/commonjs/mol-plugin-ui/controls/line-graph/point-component.js +2 -2
- package/lib/commonjs/mol-plugin-ui/controls/parameters.js +94 -94
- package/lib/commonjs/mol-plugin-ui/controls/screenshot.js +5 -5
- package/lib/commonjs/mol-plugin-ui/controls/slider.js +16 -16
- package/lib/commonjs/mol-plugin-ui/controls.js +16 -16
- package/lib/commonjs/mol-plugin-ui/custom/volume.js +16 -16
- package/lib/commonjs/mol-plugin-ui/index.js +4 -4
- package/lib/commonjs/mol-plugin-ui/left-panel.d.ts +8 -1
- package/lib/commonjs/mol-plugin-ui/left-panel.js +40 -19
- package/lib/commonjs/mol-plugin-ui/plugin.js +17 -17
- package/lib/commonjs/mol-plugin-ui/sequence/chain.js +1 -1
- package/lib/commonjs/mol-plugin-ui/sequence/element.js +1 -1
- package/lib/commonjs/mol-plugin-ui/sequence/hetero.js +1 -1
- package/lib/commonjs/mol-plugin-ui/sequence/polymer.js +1 -1
- package/lib/commonjs/mol-plugin-ui/sequence/sequence.js +6 -6
- package/lib/commonjs/mol-plugin-ui/sequence.js +9 -9
- package/lib/commonjs/mol-plugin-ui/spec.js +1 -1
- package/lib/commonjs/mol-plugin-ui/state/actions.js +2 -2
- package/lib/commonjs/mol-plugin-ui/state/animation.js +2 -2
- package/lib/commonjs/mol-plugin-ui/state/apply-action.js +1 -1
- package/lib/commonjs/mol-plugin-ui/state/common.js +12 -12
- package/lib/commonjs/mol-plugin-ui/state/snapshots.js +29 -29
- package/lib/commonjs/mol-plugin-ui/state/tree.js +19 -19
- package/lib/commonjs/mol-plugin-ui/state/update-transform.js +3 -3
- package/lib/commonjs/mol-plugin-ui/structure/components.js +19 -19
- package/lib/commonjs/mol-plugin-ui/structure/focus.js +4 -4
- package/lib/commonjs/mol-plugin-ui/structure/generic.js +6 -6
- package/lib/commonjs/mol-plugin-ui/structure/measurements.js +13 -13
- package/lib/commonjs/mol-plugin-ui/structure/quick-styles.js +11 -11
- package/lib/commonjs/mol-plugin-ui/structure/selection.js +13 -13
- package/lib/commonjs/mol-plugin-ui/structure/source.js +12 -12
- package/lib/commonjs/mol-plugin-ui/structure/superposition.js +20 -20
- package/lib/commonjs/mol-plugin-ui/structure/volume.js +12 -12
- package/lib/commonjs/mol-plugin-ui/task.js +8 -8
- package/lib/commonjs/mol-plugin-ui/toast.js +6 -6
- package/lib/commonjs/mol-plugin-ui/viewport/canvas.js +5 -5
- package/lib/commonjs/mol-plugin-ui/viewport/help.js +14 -14
- package/lib/commonjs/mol-plugin-ui/viewport/screenshot.js +8 -8
- package/lib/commonjs/mol-plugin-ui/viewport/simple-settings.js +6 -6
- package/lib/commonjs/mol-plugin-ui/viewport.js +7 -7
- package/lib/commonjs/mol-repr/representation.js +4 -4
- package/lib/commonjs/mol-repr/shape/loci/angle.js +9 -9
- package/lib/commonjs/mol-repr/shape/loci/common.js +1 -1
- package/lib/commonjs/mol-repr/shape/loci/dihedral.js +14 -14
- package/lib/commonjs/mol-repr/shape/loci/distance.js +5 -5
- package/lib/commonjs/mol-repr/shape/loci/label.js +3 -3
- package/lib/commonjs/mol-repr/shape/loci/orientation.js +4 -4
- package/lib/commonjs/mol-repr/shape/loci/plane.js +2 -2
- package/lib/commonjs/mol-repr/shape/model/unitcell.js +2 -2
- package/lib/commonjs/mol-repr/shape/representation.js +2 -2
- package/lib/commonjs/mol-repr/structure/complex-representation.js +2 -2
- package/lib/commonjs/mol-repr/structure/complex-visual.js +12 -12
- package/lib/commonjs/mol-repr/structure/params.js +8 -8
- package/lib/commonjs/mol-repr/structure/registry.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/backbone.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/ball-and-stick.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/carbohydrate.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/cartoon.js +3 -3
- package/lib/commonjs/mol-repr/structure/representation/ellipsoid.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/gaussian-surface.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/gaussian-volume.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/label.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/line.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/molecular-surface.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/orientation.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/point.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/putty.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/spacefill.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation.js +1 -1
- package/lib/commonjs/mol-repr/structure/units-representation.js +2 -2
- package/lib/commonjs/mol-repr/structure/units-visual.js +16 -16
- package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-cylinder.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-cylinder.js +21 -11
- package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-line.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-line.js +11 -6
- package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-cylinder.js +17 -7
- package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-line.js +9 -4
- package/lib/commonjs/mol-repr/structure/visual/carbohydrate-link-cylinder.js +11 -2
- package/lib/commonjs/mol-repr/structure/visual/carbohydrate-symbol-mesh.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.js +11 -2
- package/lib/commonjs/mol-repr/structure/visual/element-cross.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/element-point.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/visual/element-point.js +23 -4
- package/lib/commonjs/mol-repr/structure/visual/element-sphere.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/ellipsoid-mesh.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/gaussian-density-volume.js +8 -9
- package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-mesh.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-mesh.js +20 -20
- package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-wireframe.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-wireframe.js +7 -8
- package/lib/commonjs/mol-repr/structure/visual/label-text.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/molecular-surface-mesh.js +6 -6
- package/lib/commonjs/mol-repr/structure/visual/molecular-surface-wireframe.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/visual/molecular-surface-wireframe.js +7 -7
- package/lib/commonjs/mol-repr/structure/visual/nucleotide-block-mesh.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/nucleotide-ring-mesh.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/orientation-ellipsoid-mesh.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/polymer-backbone-cylinder.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/polymer-backbone-sphere.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/polymer-direction-wedge.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/polymer-gap-cylinder.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/polymer-trace-mesh.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/polymer-tube-mesh.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/util/bond.js +2 -2
- package/lib/commonjs/mol-repr/structure/visual/util/common.d.ts +1 -3
- package/lib/commonjs/mol-repr/structure/visual/util/common.js +3 -28
- package/lib/commonjs/mol-repr/structure/visual/util/element.js +36 -2
- package/lib/commonjs/mol-repr/structure/visual/util/gaussian.js +13 -13
- package/lib/commonjs/mol-repr/structure/visual/util/link.d.ts +13 -3
- package/lib/commonjs/mol-repr/structure/visual/util/link.js +55 -6
- package/lib/commonjs/mol-repr/structure/visual/util/molecular-surface.js +5 -5
- package/lib/commonjs/mol-repr/structure/visual/util/polymer.js +4 -4
- package/lib/commonjs/mol-repr/util.js +1 -1
- package/lib/commonjs/mol-repr/volume/direct-volume.js +3 -3
- package/lib/commonjs/mol-repr/volume/isosurface.js +9 -9
- package/lib/commonjs/mol-repr/volume/registry.js +1 -1
- package/lib/commonjs/mol-repr/volume/representation.js +5 -5
- package/lib/commonjs/mol-repr/volume/slice.js +4 -4
- package/lib/commonjs/mol-script/language/builder.d.ts +1 -0
- package/lib/commonjs/mol-script/language/parser.js +7 -4
- package/lib/commonjs/mol-script/language/symbol-table/internal.js +1 -1
- package/lib/commonjs/mol-script/language/symbol-table/structure-query.js +1 -1
- package/lib/commonjs/mol-script/runtime/query/compiler.js +1 -1
- package/lib/commonjs/mol-script/script/mol-script/symbols.js +1 -1
- package/lib/commonjs/mol-state/action.js +1 -1
- package/lib/commonjs/mol-state/index.js +8 -8
- package/lib/commonjs/mol-state/state/builder.js +2 -2
- package/lib/commonjs/mol-state/state/selection.js +1 -1
- package/lib/commonjs/mol-state/state.js +21 -21
- package/lib/commonjs/mol-state/transform.js +4 -4
- package/lib/commonjs/mol-state/transformer.js +1 -1
- package/lib/commonjs/mol-task/execution/observable.js +5 -5
- package/lib/commonjs/mol-task/task.js +3 -3
- package/lib/commonjs/mol-task/util/chunked.js +2 -2
- package/lib/commonjs/mol-task/util/multistep.js +1 -1
- package/lib/commonjs/mol-task/util/scheduler.d.ts +2 -2
- package/lib/commonjs/mol-task/util/scheduler.js +8 -8
- package/lib/commonjs/mol-theme/color/atom-id.js +1 -1
- package/lib/commonjs/mol-theme/color/chain-id.js +1 -1
- package/lib/commonjs/mol-theme/color/element-index.js +1 -1
- package/lib/commonjs/mol-theme/color/entity-id.js +1 -1
- package/lib/commonjs/mol-theme/color/entity-source.js +2 -2
- package/lib/commonjs/mol-theme/color/hydrophobicity.js +2 -2
- package/lib/commonjs/mol-theme/color/model-index.js +1 -1
- package/lib/commonjs/mol-theme/color/operator-hkl.js +2 -2
- package/lib/commonjs/mol-theme/color/operator-name.js +1 -1
- package/lib/commonjs/mol-theme/color/polymer-id.js +2 -2
- package/lib/commonjs/mol-theme/color/polymer-index.js +2 -2
- package/lib/commonjs/mol-theme/color/unit-index.js +2 -2
- package/lib/commonjs/mol-theme/label.js +6 -6
- package/lib/commonjs/mol-theme/theme.js +3 -3
- package/lib/commonjs/mol-util/assets.js +7 -7
- package/lib/commonjs/mol-util/color/distinct.js +1 -1
- package/lib/commonjs/mol-util/color/palette.js +3 -3
- package/lib/commonjs/mol-util/color/scale.js +2 -2
- package/lib/commonjs/mol-util/data-source.js +14 -13
- package/lib/commonjs/mol-util/file-info.d.ts +1 -3
- package/lib/commonjs/mol-util/file-info.js +2 -10
- package/lib/commonjs/mol-util/graphql-client.js +4 -4
- package/lib/commonjs/mol-util/index.d.ts +1 -0
- package/lib/commonjs/mol-util/index.js +8 -2
- package/lib/commonjs/mol-util/input/input-observer.js +6 -6
- package/lib/commonjs/mol-util/make-dir.js +1 -1
- package/lib/commonjs/mol-util/material.js +2 -2
- package/lib/commonjs/mol-util/monadic-parser.js +2 -2
- package/lib/commonjs/mol-util/param-definition.js +7 -7
- package/lib/commonjs/mol-util/read.js +2 -2
- package/lib/commonjs/mol-util/retry-if.js +2 -2
- package/lib/commonjs/mol-util/string.js +1 -1
- package/lib/commonjs/mol-util/zip/deflate.js +4 -3
- package/lib/commonjs/mol-util/zip/inflate.js +2 -2
- package/lib/commonjs/mol-util/zip/zip.d.ts +7 -1
- package/lib/commonjs/mol-util/zip/zip.js +21 -16
- package/lib/commonjs/servers/common/file-handle.js +1 -1
- package/lib/commonjs/servers/common/swagger-ui/index.js +1 -1
- package/lib/commonjs/servers/model/config.d.ts +2 -2
- package/lib/commonjs/servers/model/config.js +5 -5
- package/lib/commonjs/servers/model/preprocess/converter.js +2 -2
- package/lib/commonjs/servers/model/preprocess/master.js +3 -3
- package/lib/commonjs/servers/model/preprocess/parallel.js +6 -6
- package/lib/commonjs/servers/model/preprocess/preprocess.js +4 -4
- package/lib/commonjs/servers/model/preprocess.js +1 -1
- package/lib/commonjs/servers/model/properties/providers/pdbe.js +8 -8
- package/lib/commonjs/servers/model/properties/providers/wwpdb.js +12 -12
- package/lib/commonjs/servers/model/property-provider.js +3 -3
- package/lib/commonjs/servers/model/query.js +1 -1
- package/lib/commonjs/servers/model/server/api-local.js +2 -2
- package/lib/commonjs/servers/model/server/api-schema.js +2 -2
- package/lib/commonjs/servers/model/server/api-web.js +5 -5
- package/lib/commonjs/servers/model/server/api.js +6 -6
- package/lib/commonjs/servers/model/server/query.js +15 -15
- package/lib/commonjs/servers/model/server/structure-wrapper.js +21 -21
- package/lib/commonjs/servers/model/server.js +2 -2
- package/lib/commonjs/servers/model/utils/fetch-props-pdbe.js +6 -6
- package/lib/commonjs/servers/model/utils/fetch-retry.js +3 -3
- package/lib/commonjs/servers/model/utils/writer.js +3 -3
- package/lib/commonjs/servers/plugin-state/config.js +1 -1
- package/lib/commonjs/servers/plugin-state/index.js +6 -6
- package/lib/commonjs/servers/volume/common/binary-schema.js +1 -1
- package/lib/commonjs/servers/volume/common/data-format.js +3 -3
- package/lib/commonjs/servers/volume/common/file.js +8 -8
- package/lib/commonjs/servers/volume/config.js +6 -6
- package/lib/commonjs/servers/volume/pack/format/ccp4.js +4 -4
- package/lib/commonjs/servers/volume/pack/format/dsn6.js +4 -4
- package/lib/commonjs/servers/volume/pack/format.js +3 -3
- package/lib/commonjs/servers/volume/pack/main.js +13 -13
- package/lib/commonjs/servers/volume/pack/sampling.js +13 -13
- package/lib/commonjs/servers/volume/pack/writer.js +2 -2
- 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/alpha-orbitals/index.html +61 -61
- package/lib/examples/basic-wrapper/controls.js +1 -1
- package/lib/examples/basic-wrapper/index.html +137 -137
- package/lib/examples/lighting/index.html +88 -88
- package/lib/examples/proteopedia-wrapper/index.html +236 -236
- 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/dnatco/confal-pyramids/color.d.ts +397 -2
- package/lib/extensions/dnatco/confal-pyramids/color.js +224 -132
- package/lib/extensions/dnatco/confal-pyramids/property.js +1 -3
- package/lib/extensions/dnatco/confal-pyramids/util.js +19 -20
- 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/rcsb/validation-report/representation.js +19 -2
- 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/cylinders/cylinders.d.ts +2 -2
- package/lib/mol-geo/geometry/lines/lines.d.ts +0 -1
- package/lib/mol-geo/geometry/mesh/color-smoothing.d.ts +1 -1
- package/lib/mol-geo/geometry/mesh/color-smoothing.js +5 -3
- package/lib/mol-geo/geometry/points/points.d.ts +1 -1
- package/lib/mol-geo/geometry/text/text-builder.js +2 -1
- package/lib/mol-geo/geometry/texture-mesh/color-smoothing.d.ts +1 -1
- package/lib/mol-geo/geometry/texture-mesh/color-smoothing.js +6 -4
- package/lib/mol-gl/shader-code.js +2 -1
- package/lib/mol-gl/webgl/buffer.js +2 -3
- package/lib/mol-gl/webgl/context.d.ts +1 -1
- package/lib/mol-gl/webgl/context.js +2 -2
- 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-math/geometry/common.d.ts +2 -1
- package/lib/mol-math/geometry/common.js +1 -1
- package/lib/mol-math/geometry/gaussian-density/cpu.d.ts +1 -1
- package/lib/mol-math/geometry/gaussian-density/cpu.js +2 -2
- package/lib/mol-math/geometry/gaussian-density/gpu.d.ts +1 -1
- package/lib/mol-math/geometry/gaussian-density/gpu.js +7 -7
- package/lib/mol-math/geometry/gaussian-density.d.ts +2 -2
- package/lib/mol-math/geometry/gaussian-density.js +1 -1
- package/lib/mol-math/geometry/molecular-surface.d.ts +2 -1
- package/lib/mol-math/geometry/molecular-surface.js +2 -2
- package/lib/mol-math/geometry/primitives/box3d.js +2 -1
- package/lib/mol-math/geometry/primitives/sphere3d.js +12 -6
- 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/structure/structure/structure.js +4 -1
- package/lib/mol-model/structure/structure/unit/bonds/inter-compute.d.ts +1 -0
- package/lib/mol-model/structure/structure/unit/bonds/inter-compute.js +4 -2
- package/lib/mol-model/structure/structure/unit.js +1 -18
- 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-model-props/computed/representations/interactions-inter-unit-cylinder.js +9 -3
- package/lib/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js +10 -5
- package/lib/mol-model-props/integrative/cross-link-restraint/representation.js +10 -1
- package/lib/mol-plugin/behavior/dynamic/volume-streaming/model.d.ts +2 -3
- 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/root-structure.js +1 -1
- 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/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.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-repr/structure/visual/bond-inter-unit-cylinder.d.ts +1 -1
- package/lib/mol-repr/structure/visual/bond-inter-unit-cylinder.js +20 -10
- package/lib/mol-repr/structure/visual/bond-inter-unit-line.d.ts +1 -1
- package/lib/mol-repr/structure/visual/bond-inter-unit-line.js +10 -5
- package/lib/mol-repr/structure/visual/bond-intra-unit-cylinder.js +16 -6
- package/lib/mol-repr/structure/visual/bond-intra-unit-line.js +8 -3
- package/lib/mol-repr/structure/visual/carbohydrate-link-cylinder.js +10 -1
- package/lib/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.js +10 -1
- package/lib/mol-repr/structure/visual/element-point.d.ts +1 -1
- package/lib/mol-repr/structure/visual/element-point.js +22 -3
- package/lib/mol-repr/structure/visual/gaussian-density-volume.js +2 -3
- package/lib/mol-repr/structure/visual/gaussian-surface-mesh.d.ts +1 -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.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/util/common.d.ts +1 -3
- package/lib/mol-repr/structure/visual/util/common.js +1 -24
- package/lib/mol-repr/structure/visual/util/element.js +36 -2
- package/lib/mol-repr/structure/visual/util/link.d.ts +13 -3
- package/lib/mol-repr/structure/visual/util/link.js +55 -6
- 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 +160 -160
- package/lib/commonjs/mol-plugin-state/formats/structure.js +0 -64
- package/lib/mol-plugin-state/formats/structure.js +0 -61
|
@@ -83,9 +83,9 @@ function getColumns(block) {
|
|
|
83
83
|
return normalized;
|
|
84
84
|
}
|
|
85
85
|
function getTraj(ctx, data) {
|
|
86
|
-
return
|
|
86
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
87
87
|
var normalized, rowCount, entityIds, entityBuilder, eName, i, e, entityId, ihm_sphere_obj_site, basic, models;
|
|
88
|
-
return
|
|
88
|
+
return tslib_1.__generator(this, function (_a) {
|
|
89
89
|
switch (_a.label) {
|
|
90
90
|
case 0:
|
|
91
91
|
normalized = getColumns(data);
|
|
@@ -137,8 +137,8 @@ function getTraj(ctx, data) {
|
|
|
137
137
|
}
|
|
138
138
|
function trajectoryFromG3D(data) {
|
|
139
139
|
var _this = this;
|
|
140
|
-
return mol_task_1.Task.create('Parse G3D', function (ctx) { return
|
|
141
|
-
return
|
|
140
|
+
return mol_task_1.Task.create('Parse G3D', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
|
|
141
|
+
return tslib_1.__generator(this, function (_a) {
|
|
142
142
|
return [2 /*return*/, getTraj(ctx, data)];
|
|
143
143
|
});
|
|
144
144
|
}); });
|
|
@@ -27,7 +27,7 @@ exports.GeometryParams = {
|
|
|
27
27
|
])
|
|
28
28
|
};
|
|
29
29
|
var GeometryControls = /** @class */ (function (_super) {
|
|
30
|
-
|
|
30
|
+
tslib_1.__extends(GeometryControls, _super);
|
|
31
31
|
function GeometryControls(plugin) {
|
|
32
32
|
var _this = _super.call(this) || this;
|
|
33
33
|
_this.plugin = plugin;
|
|
@@ -45,10 +45,10 @@ var GeometryControls = /** @class */ (function (_super) {
|
|
|
45
45
|
};
|
|
46
46
|
GeometryControls.prototype.exportGeometry = function () {
|
|
47
47
|
var _this = this;
|
|
48
|
-
var task = mol_task_1.Task.create('Export Geometry', function (ctx) { return
|
|
48
|
+
var task = mol_task_1.Task.create('Export Geometry', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
|
|
49
49
|
var renderObjects, filename, boundingSphere, boundingBox, renderObjectExporter, i, il, blob, e_1;
|
|
50
50
|
var _a, _b, _c;
|
|
51
|
-
return
|
|
51
|
+
return tslib_1.__generator(this, function (_d) {
|
|
52
52
|
switch (_d.label) {
|
|
53
53
|
case 0:
|
|
54
54
|
_d.trys.push([0, 7, , 8]);
|
|
@@ -31,7 +31,7 @@ var BIN_CHUNK_TYPE = 0x004E4942;
|
|
|
31
31
|
var JSON_PAD_CHAR = 0x20;
|
|
32
32
|
var BIN_PAD_CHAR = 0x00;
|
|
33
33
|
var GlbExporter = /** @class */ (function (_super) {
|
|
34
|
-
|
|
34
|
+
tslib_1.__extends(GlbExporter, _super);
|
|
35
35
|
function GlbExporter(boundingBox) {
|
|
36
36
|
var _this = _super.call(this) || this;
|
|
37
37
|
_this.fileExtension = 'glb';
|
|
@@ -153,9 +153,9 @@ var GlbExporter = /** @class */ (function (_super) {
|
|
|
153
153
|
return this.materialMap.get(hash);
|
|
154
154
|
};
|
|
155
155
|
GlbExporter.prototype.addMeshWithColors = function (input) {
|
|
156
|
-
return
|
|
156
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
157
157
|
var mesh, values, isGeoTexture, webgl, ctx, t, colorType, overpaintType, transparencyType, dTransparency, aTransform, instanceCount, metalness, roughness, material, interpolatedColors, stride, interpolatedOverpaint, stride, interpolatedTransparency, stride, sameGeometryBuffers, sameColorBuffer, vertexAccessorIndex, normalAccessorIndex, indexAccessorIndex, colorAccessorIndex, meshIndex, instanceIndex, _a, vertices, normals, indices, groups, vertexCount, drawCount, accessorIndices, node;
|
|
158
|
-
return
|
|
158
|
+
return tslib_1.__generator(this, function (_b) {
|
|
159
159
|
switch (_b.label) {
|
|
160
160
|
case 0:
|
|
161
161
|
mesh = input.mesh, values = input.values, isGeoTexture = input.isGeoTexture, webgl = input.webgl, ctx = input.ctx;
|
|
@@ -242,9 +242,9 @@ var GlbExporter = /** @class */ (function (_super) {
|
|
|
242
242
|
});
|
|
243
243
|
};
|
|
244
244
|
GlbExporter.prototype.getData = function () {
|
|
245
|
-
return
|
|
245
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
246
246
|
var binaryBufferLength, gltf, createChunk, jsonString, jsonBuffer, _a, jsonChunk, jsonChunkLength, _b, binaryChunk, binaryChunkLength, glbBufferLength, header, headerDataView, glbBuffer, glb, offset, _i, glbBuffer_1, buffer;
|
|
247
|
-
return
|
|
247
|
+
return tslib_1.__generator(this, function (_c) {
|
|
248
248
|
binaryBufferLength = this.byteOffset;
|
|
249
249
|
gltf = {
|
|
250
250
|
asset: {
|
|
@@ -275,7 +275,7 @@ var GlbExporter = /** @class */ (function (_super) {
|
|
|
275
275
|
var preambleDataView = new DataView(preamble);
|
|
276
276
|
preambleDataView.setUint32(0, byteLength, true);
|
|
277
277
|
preambleDataView.setUint32(4, chunkType, true);
|
|
278
|
-
var chunk =
|
|
278
|
+
var chunk = tslib_1.__spreadArray([preamble], data, true);
|
|
279
279
|
if (padding) {
|
|
280
280
|
chunk.push(padding.buffer);
|
|
281
281
|
}
|
|
@@ -292,7 +292,7 @@ var GlbExporter = /** @class */ (function (_super) {
|
|
|
292
292
|
headerDataView.setUint32(0, GLTF_MAGIC_BYTE, true); // magic number "glTF"
|
|
293
293
|
headerDataView.setUint32(4, 2, true); // version
|
|
294
294
|
headerDataView.setUint32(8, glbBufferLength, true); // length
|
|
295
|
-
glbBuffer =
|
|
295
|
+
glbBuffer = tslib_1.__spreadArray(tslib_1.__spreadArray([header], jsonChunk, true), binaryChunk, true);
|
|
296
296
|
glb = new Uint8Array(glbBufferLength);
|
|
297
297
|
offset = 0;
|
|
298
298
|
for (_i = 0, glbBuffer_1 = glbBuffer; _i < glbBuffer_1.length; _i++) {
|
|
@@ -305,9 +305,9 @@ var GlbExporter = /** @class */ (function (_super) {
|
|
|
305
305
|
});
|
|
306
306
|
};
|
|
307
307
|
GlbExporter.prototype.getBlob = function (ctx) {
|
|
308
|
-
return
|
|
308
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
309
309
|
var _a;
|
|
310
|
-
return
|
|
310
|
+
return tslib_1.__generator(this, function (_b) {
|
|
311
311
|
switch (_b.label) {
|
|
312
312
|
case 0:
|
|
313
313
|
_a = Blob.bind;
|
|
@@ -16,7 +16,7 @@ exports.GeometryExport = behavior_1.PluginBehavior.create({
|
|
|
16
16
|
name: 'Geometry Export'
|
|
17
17
|
},
|
|
18
18
|
ctor: /** @class */ (function (_super) {
|
|
19
|
-
|
|
19
|
+
tslib_1.__extends(class_1, _super);
|
|
20
20
|
function class_1() {
|
|
21
21
|
return _super !== null && _super.apply(this, arguments) || this;
|
|
22
22
|
}
|
|
@@ -276,9 +276,9 @@ var MeshExporter = /** @class */ (function () {
|
|
|
276
276
|
return transparency;
|
|
277
277
|
};
|
|
278
278
|
MeshExporter.prototype.addMesh = function (values, webgl, ctx) {
|
|
279
|
-
return
|
|
279
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
280
280
|
var aPosition, aNormal, aGroup, originalData, indices, vertexCount, drawCount;
|
|
281
|
-
return
|
|
281
|
+
return tslib_1.__generator(this, function (_a) {
|
|
282
282
|
switch (_a.label) {
|
|
283
283
|
case 0:
|
|
284
284
|
aPosition = values.aPosition.ref.value;
|
|
@@ -304,23 +304,23 @@ var MeshExporter = /** @class */ (function () {
|
|
|
304
304
|
});
|
|
305
305
|
};
|
|
306
306
|
MeshExporter.prototype.addLines = function (values, webgl, ctx) {
|
|
307
|
-
return
|
|
308
|
-
return
|
|
307
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
308
|
+
return tslib_1.__generator(this, function (_a) {
|
|
309
309
|
return [2 /*return*/];
|
|
310
310
|
});
|
|
311
311
|
});
|
|
312
312
|
};
|
|
313
313
|
MeshExporter.prototype.addPoints = function (values, webgl, ctx) {
|
|
314
|
-
return
|
|
315
|
-
return
|
|
314
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
315
|
+
return tslib_1.__generator(this, function (_a) {
|
|
316
316
|
return [2 /*return*/];
|
|
317
317
|
});
|
|
318
318
|
});
|
|
319
319
|
};
|
|
320
320
|
MeshExporter.prototype.addSpheres = function (values, webgl, ctx) {
|
|
321
|
-
return
|
|
321
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
322
322
|
var center, aPosition, aGroup, instanceCount, vertexCount, meshes, sphereCount, detail, instanceIndex, state, i, group, radius;
|
|
323
|
-
return
|
|
323
|
+
return tslib_1.__generator(this, function (_a) {
|
|
324
324
|
switch (_a.label) {
|
|
325
325
|
case 0:
|
|
326
326
|
center = (0, linear_algebra_1.Vec3)();
|
|
@@ -356,9 +356,9 @@ var MeshExporter = /** @class */ (function () {
|
|
|
356
356
|
});
|
|
357
357
|
};
|
|
358
358
|
MeshExporter.prototype.addCylinders = function (values, webgl, ctx) {
|
|
359
|
-
return
|
|
359
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
360
360
|
var start, end, aStart, aEnd, aScale, aCap, aGroup, instanceCount, vertexCount, meshes, cylinderCount, radialSegments, instanceIndex, state, i, group, radius, cap, topCap, bottomCap, cylinderProps;
|
|
361
|
-
return
|
|
361
|
+
return tslib_1.__generator(this, function (_a) {
|
|
362
362
|
switch (_a.label) {
|
|
363
363
|
case 0:
|
|
364
364
|
start = (0, linear_algebra_1.Vec3)();
|
|
@@ -403,9 +403,9 @@ var MeshExporter = /** @class */ (function () {
|
|
|
403
403
|
});
|
|
404
404
|
};
|
|
405
405
|
MeshExporter.prototype.addTextureMesh = function (values, webgl, ctx) {
|
|
406
|
-
return
|
|
406
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
407
407
|
var framebuffer, _a, width, height, vertices, normals, groups, vertexCount, drawCount;
|
|
408
|
-
return
|
|
408
|
+
return tslib_1.__generator(this, function (_b) {
|
|
409
409
|
switch (_b.label) {
|
|
410
410
|
case 0:
|
|
411
411
|
if (!webgl.namedFramebuffers[GeoExportName]) {
|
|
@@ -20,7 +20,7 @@ var v3transformMat4 = linear_algebra_1.Vec3.transformMat4;
|
|
|
20
20
|
var v3transformMat3 = linear_algebra_1.Vec3.transformMat3;
|
|
21
21
|
var mat3directionTransform = linear_algebra_1.Mat3.directionTransform;
|
|
22
22
|
var ObjExporter = /** @class */ (function (_super) {
|
|
23
|
-
|
|
23
|
+
tslib_1.__extends(ObjExporter, _super);
|
|
24
24
|
function ObjExporter(filename, boundingBox) {
|
|
25
25
|
var _this = _super.call(this) || this;
|
|
26
26
|
_this.filename = filename;
|
|
@@ -67,9 +67,9 @@ var ObjExporter = /** @class */ (function (_super) {
|
|
|
67
67
|
}
|
|
68
68
|
};
|
|
69
69
|
ObjExporter.prototype.addMeshWithColors = function (input) {
|
|
70
|
-
return
|
|
70
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
71
71
|
var mesh, values, isGeoTexture, webgl, ctx, obj, t, n, tmpV, stride, colorType, overpaintType, transparencyType, uAlpha, aTransform, instanceCount, interpolatedColors, interpolatedOverpaint, interpolatedTransparency, stride_1, instanceIndex, _a, vertices, normals, indices, groups, vertexCount, drawCount, i, i, geoData, quantizedColors, i, v, color, i, color, transparency, alpha, v1, v2, v3;
|
|
72
|
-
return
|
|
72
|
+
return tslib_1.__generator(this, function (_b) {
|
|
73
73
|
switch (_b.label) {
|
|
74
74
|
case 0:
|
|
75
75
|
mesh = input.mesh, values = input.values, isGeoTexture = input.isGeoTexture, webgl = input.webgl, ctx = input.ctx;
|
|
@@ -173,8 +173,8 @@ var ObjExporter = /** @class */ (function (_super) {
|
|
|
173
173
|
});
|
|
174
174
|
};
|
|
175
175
|
ObjExporter.prototype.getData = function () {
|
|
176
|
-
return
|
|
177
|
-
return
|
|
176
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
177
|
+
return tslib_1.__generator(this, function (_a) {
|
|
178
178
|
return [2 /*return*/, {
|
|
179
179
|
obj: mol_util_1.StringBuilder.getString(this.obj),
|
|
180
180
|
mtl: mol_util_1.StringBuilder.getString(this.mtl)
|
|
@@ -183,10 +183,10 @@ var ObjExporter = /** @class */ (function (_super) {
|
|
|
183
183
|
});
|
|
184
184
|
};
|
|
185
185
|
ObjExporter.prototype.getBlob = function (ctx) {
|
|
186
|
-
return
|
|
186
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
187
187
|
var _a, obj, mtl, objData, mtlData, zipDataObj, _b;
|
|
188
188
|
var _c;
|
|
189
|
-
return
|
|
189
|
+
return tslib_1.__generator(this, function (_d) {
|
|
190
190
|
switch (_d.label) {
|
|
191
191
|
case 0: return [4 /*yield*/, this.getData()];
|
|
192
192
|
case 1:
|
|
@@ -17,7 +17,7 @@ var v3transformMat4 = linear_algebra_1.Vec3.transformMat4;
|
|
|
17
17
|
var v3triangleNormal = linear_algebra_1.Vec3.triangleNormal;
|
|
18
18
|
var v3toArray = linear_algebra_1.Vec3.toArray;
|
|
19
19
|
var StlExporter = /** @class */ (function (_super) {
|
|
20
|
-
|
|
20
|
+
tslib_1.__extends(StlExporter, _super);
|
|
21
21
|
function StlExporter(boundingBox) {
|
|
22
22
|
var _this = _super.call(this) || this;
|
|
23
23
|
_this.fileExtension = 'stl';
|
|
@@ -30,9 +30,9 @@ var StlExporter = /** @class */ (function (_super) {
|
|
|
30
30
|
return _this;
|
|
31
31
|
}
|
|
32
32
|
StlExporter.prototype.addMeshWithColors = function (input) {
|
|
33
|
-
return
|
|
33
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
34
34
|
var values, isGeoTexture, ctx, t, tmpV, v1, v2, v3, stride, aTransform, instanceCount, instanceIndex, _a, vertices, indices, vertexCount, drawCount, vertexArray, i, triangleBuffer, dataView, i, byteOffset;
|
|
35
|
-
return
|
|
35
|
+
return tslib_1.__generator(this, function (_b) {
|
|
36
36
|
switch (_b.label) {
|
|
37
37
|
case 0:
|
|
38
38
|
values = input.values, isGeoTexture = input.isGeoTexture, ctx = input.ctx;
|
|
@@ -95,9 +95,9 @@ var StlExporter = /** @class */ (function (_super) {
|
|
|
95
95
|
});
|
|
96
96
|
};
|
|
97
97
|
StlExporter.prototype.getData = function () {
|
|
98
|
-
return
|
|
98
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
99
99
|
var stl, dataView, byteOffset, _i, _a, buffer;
|
|
100
|
-
return
|
|
100
|
+
return tslib_1.__generator(this, function (_b) {
|
|
101
101
|
stl = new Uint8Array(84 + 50 * this.triangleCount);
|
|
102
102
|
(0, ascii_1.asciiWrite)(stl, "Exported from Mol* ".concat(version_1.PLUGIN_VERSION));
|
|
103
103
|
dataView = new DataView(stl.buffer);
|
|
@@ -113,9 +113,9 @@ var StlExporter = /** @class */ (function (_super) {
|
|
|
113
113
|
});
|
|
114
114
|
};
|
|
115
115
|
StlExporter.prototype.getBlob = function (ctx) {
|
|
116
|
-
return
|
|
116
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
117
117
|
var _a;
|
|
118
|
-
return
|
|
118
|
+
return tslib_1.__generator(this, function (_b) {
|
|
119
119
|
switch (_b.label) {
|
|
120
120
|
case 0:
|
|
121
121
|
_a = Blob.bind;
|
|
@@ -16,12 +16,12 @@ var parameters_1 = require("../../mol-plugin-ui/controls/parameters");
|
|
|
16
16
|
var download_1 = require("../../mol-util/download");
|
|
17
17
|
var controls_1 = require("./controls");
|
|
18
18
|
var GeometryExporterUI = /** @class */ (function (_super) {
|
|
19
|
-
|
|
19
|
+
tslib_1.__extends(GeometryExporterUI, _super);
|
|
20
20
|
function GeometryExporterUI() {
|
|
21
21
|
var _this = _super !== null && _super.apply(this, arguments) || this;
|
|
22
|
-
_this.save = function () { return
|
|
22
|
+
_this.save = function () { return tslib_1.__awaiter(_this, void 0, void 0, function () {
|
|
23
23
|
var data, e_1;
|
|
24
|
-
return
|
|
24
|
+
return tslib_1.__generator(this, function (_a) {
|
|
25
25
|
switch (_a.label) {
|
|
26
26
|
case 0:
|
|
27
27
|
_a.trys.push([0, 2, 3, 4]);
|
|
@@ -42,9 +42,9 @@ var GeometryExporterUI = /** @class */ (function (_super) {
|
|
|
42
42
|
}
|
|
43
43
|
});
|
|
44
44
|
}); };
|
|
45
|
-
_this.viewInAR = function () { return
|
|
45
|
+
_this.viewInAR = function () { return tslib_1.__awaiter(_this, void 0, void 0, function () {
|
|
46
46
|
var data, a_1, e_2;
|
|
47
|
-
return
|
|
47
|
+
return tslib_1.__generator(this, function (_a) {
|
|
48
48
|
switch (_a.label) {
|
|
49
49
|
case 0:
|
|
50
50
|
_a.trys.push([0, 2, 3, 4]);
|
|
@@ -94,8 +94,8 @@ var GeometryExporterUI = /** @class */ (function (_super) {
|
|
|
94
94
|
this.isARSupported = !!((_b = (_a = document.createElement('a').relList) === null || _a === void 0 ? void 0 : _a.supports) === null || _b === void 0 ? void 0 : _b.call(_a, 'ar'));
|
|
95
95
|
}
|
|
96
96
|
var ctrl = this.controls;
|
|
97
|
-
return (0, jsx_runtime_1.jsxs)(jsx_runtime_1.Fragment, { children: [(0, jsx_runtime_1.jsx)(parameters_1.ParameterControls, { params: controls_1.GeometryParams, values: ctrl.behaviors.params.value, onChangeValues: function (xs) { return ctrl.behaviors.params.next(xs); }, isDisabled: this.state.busy }
|
|
98
|
-
(0, jsx_runtime_1.jsx)(common_1.Button,
|
|
97
|
+
return (0, jsx_runtime_1.jsxs)(jsx_runtime_1.Fragment, { children: [(0, jsx_runtime_1.jsx)(parameters_1.ParameterControls, { params: controls_1.GeometryParams, values: ctrl.behaviors.params.value, onChangeValues: function (xs) { return ctrl.behaviors.params.next(xs); }, isDisabled: this.state.busy }), (0, jsx_runtime_1.jsx)(common_1.Button, tslib_1.__assign({ icon: icons_1.GetAppSvg, onClick: this.save, style: { marginTop: 1 }, disabled: this.state.busy || !((_c = this.plugin.canvas3d) === null || _c === void 0 ? void 0 : _c.reprCount.value) }, { children: "Save" })), this.isARSupported && ctrl.behaviors.params.value.format === 'usdz' &&
|
|
98
|
+
(0, jsx_runtime_1.jsx)(common_1.Button, tslib_1.__assign({ icon: icons_1.CubeScanSvg, onClick: this.viewInAR, style: { marginTop: 1 }, disabled: this.state.busy || !((_d = this.plugin.canvas3d) === null || _d === void 0 ? void 0 : _d.reprCount.value) }, { children: "View in AR" }))] });
|
|
99
99
|
};
|
|
100
100
|
GeometryExporterUI.prototype.componentDidMount = function () {
|
|
101
101
|
var _this = this;
|
|
@@ -21,7 +21,7 @@ var v3transformMat4 = linear_algebra_1.Vec3.transformMat4;
|
|
|
21
21
|
var v3transformMat3 = linear_algebra_1.Vec3.transformMat3;
|
|
22
22
|
var mat3directionTransform = linear_algebra_1.Mat3.directionTransform;
|
|
23
23
|
var UsdzExporter = /** @class */ (function (_super) {
|
|
24
|
-
|
|
24
|
+
tslib_1.__extends(UsdzExporter, _super);
|
|
25
25
|
function UsdzExporter(boundingBox, radius) {
|
|
26
26
|
var _this = _super.call(this) || this;
|
|
27
27
|
_this.fileExtension = 'usdz';
|
|
@@ -47,9 +47,9 @@ var UsdzExporter = /** @class */ (function (_super) {
|
|
|
47
47
|
return materialKey;
|
|
48
48
|
};
|
|
49
49
|
UsdzExporter.prototype.addMeshWithColors = function (input) {
|
|
50
|
-
return
|
|
50
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
51
51
|
var mesh, values, isGeoTexture, webgl, ctx, t, n, tmpV, stride, colorType, overpaintType, transparencyType, uAlpha, aTransform, instanceCount, metalness, roughness, interpolatedColors, interpolatedOverpaint, stride_1, interpolatedTransparency, stride_2, _loop_1, this_1, instanceIndex;
|
|
52
|
-
return
|
|
52
|
+
return tslib_1.__generator(this, function (_a) {
|
|
53
53
|
switch (_a.label) {
|
|
54
54
|
case 0:
|
|
55
55
|
mesh = input.mesh, values = input.values, isGeoTexture = input.isGeoTexture, webgl = input.webgl, ctx = input.ctx;
|
|
@@ -81,7 +81,7 @@ var UsdzExporter = /** @class */ (function (_super) {
|
|
|
81
81
|
_a.sent();
|
|
82
82
|
_loop_1 = function (instanceIndex) {
|
|
83
83
|
var _b, vertices, normals, indices, groups, vertexCount, drawCount, vertexBuilder, normalBuilder, indexBuilder, i, i, geoData, i, v, quantizedColors, i, v, color, faceIndicesByMaterial, i, color, transparency, alpha, materialKey, faceIndices, materialBinding, materialKey, geomSubsets_1;
|
|
84
|
-
return
|
|
84
|
+
return tslib_1.__generator(this, function (_c) {
|
|
85
85
|
switch (_c.label) {
|
|
86
86
|
case 0:
|
|
87
87
|
if (!ctx.shouldUpdate) return [3 /*break*/, 2];
|
|
@@ -182,14 +182,14 @@ var UsdzExporter = /** @class */ (function (_super) {
|
|
|
182
182
|
});
|
|
183
183
|
};
|
|
184
184
|
UsdzExporter.prototype.getData = function (ctx) {
|
|
185
|
-
return
|
|
185
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
186
186
|
var header, usda, usdaData, zipDataObj;
|
|
187
187
|
var _a, _b;
|
|
188
|
-
return
|
|
188
|
+
return tslib_1.__generator(this, function (_c) {
|
|
189
189
|
switch (_c.label) {
|
|
190
190
|
case 0:
|
|
191
191
|
header = "#usda 1.0\n(\n customLayerData = {\n string creator = \"Mol* ".concat(version_1.PLUGIN_VERSION, "\"\n }\n metersPerUnit = 1\n)\n");
|
|
192
|
-
usda =
|
|
192
|
+
usda = tslib_1.__spreadArray(tslib_1.__spreadArray([header], this.materials, true), this.meshes, true).join('');
|
|
193
193
|
usdaData = new Uint8Array(usda.length);
|
|
194
194
|
(0, ascii_1.asciiWrite)(usdaData, usda);
|
|
195
195
|
zipDataObj = (_a = {},
|
|
@@ -204,9 +204,9 @@ var UsdzExporter = /** @class */ (function (_super) {
|
|
|
204
204
|
});
|
|
205
205
|
};
|
|
206
206
|
UsdzExporter.prototype.getBlob = function (ctx) {
|
|
207
|
-
return
|
|
207
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
208
208
|
var usdz;
|
|
209
|
-
return
|
|
209
|
+
return tslib_1.__generator(this, function (_a) {
|
|
210
210
|
switch (_a.label) {
|
|
211
211
|
case 0: return [4 /*yield*/, this.getData(ctx)];
|
|
212
212
|
case 1:
|
|
@@ -27,7 +27,7 @@ exports.MAQualityAssessment = behavior_1.PluginBehavior.create({
|
|
|
27
27
|
description: 'Data included in Model Archive files.'
|
|
28
28
|
},
|
|
29
29
|
ctor: /** @class */ (function (_super) {
|
|
30
|
-
|
|
30
|
+
tslib_1.__extends(class_1, _super);
|
|
31
31
|
function class_1() {
|
|
32
32
|
var _this = _super !== null && _super.apply(this, arguments) || this;
|
|
33
33
|
_this.provider = prop_1.QualityAssessmentProvider;
|
|
@@ -152,9 +152,9 @@ var confidentPLDDT = (0, structure_selection_query_1.StructureSelectionQuery)('C
|
|
|
152
152
|
]), {
|
|
153
153
|
description: 'Select residues with a pLDDT > 70 (confident).',
|
|
154
154
|
category: structure_selection_query_1.StructureSelectionCategory.Validation,
|
|
155
|
-
ensureCustomProperties: function (ctx, structure) { return
|
|
155
|
+
ensureCustomProperties: function (ctx, structure) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
|
|
156
156
|
var _i, _a, m;
|
|
157
|
-
return
|
|
157
|
+
return tslib_1.__generator(this, function (_b) {
|
|
158
158
|
switch (_b.label) {
|
|
159
159
|
case 0:
|
|
160
160
|
_i = 0, _a = structure.models;
|
|
@@ -187,9 +187,9 @@ exports.QualityAssessmentPLDDTPreset = (0, representation_preset_1.StructureRepr
|
|
|
187
187
|
params: function () { return representation_preset_1.StructureRepresentationPresetProvider.CommonParams; },
|
|
188
188
|
apply: function (ref, params, plugin) {
|
|
189
189
|
var _a;
|
|
190
|
-
return
|
|
190
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
191
191
|
var structureCell, structure, colorTheme;
|
|
192
|
-
return
|
|
192
|
+
return tslib_1.__generator(this, function (_b) {
|
|
193
193
|
switch (_b.label) {
|
|
194
194
|
case 0:
|
|
195
195
|
structureCell = mol_state_1.StateObjectRef.resolveAndCheck(plugin.state.data, ref);
|
|
@@ -197,7 +197,7 @@ exports.QualityAssessmentPLDDTPreset = (0, representation_preset_1.StructureRepr
|
|
|
197
197
|
if (!structureCell || !structure)
|
|
198
198
|
return [2 /*return*/, {}];
|
|
199
199
|
colorTheme = plddt_1.PLDDTConfidenceColorThemeProvider.name;
|
|
200
|
-
return [4 /*yield*/, representation_preset_1.PresetStructureRepresentations.auto.apply(ref,
|
|
200
|
+
return [4 /*yield*/, representation_preset_1.PresetStructureRepresentations.auto.apply(ref, tslib_1.__assign(tslib_1.__assign({}, params), { theme: { globalName: colorTheme, focus: { name: colorTheme } } }), plugin)];
|
|
201
201
|
case 1: return [2 /*return*/, _b.sent()];
|
|
202
202
|
}
|
|
203
203
|
});
|
|
@@ -216,9 +216,9 @@ exports.QualityAssessmentQmeanPreset = (0, representation_preset_1.StructureRepr
|
|
|
216
216
|
params: function () { return representation_preset_1.StructureRepresentationPresetProvider.CommonParams; },
|
|
217
217
|
apply: function (ref, params, plugin) {
|
|
218
218
|
var _a;
|
|
219
|
-
return
|
|
219
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
220
220
|
var structureCell, structure, colorTheme;
|
|
221
|
-
return
|
|
221
|
+
return tslib_1.__generator(this, function (_b) {
|
|
222
222
|
switch (_b.label) {
|
|
223
223
|
case 0:
|
|
224
224
|
structureCell = mol_state_1.StateObjectRef.resolveAndCheck(plugin.state.data, ref);
|
|
@@ -226,7 +226,7 @@ exports.QualityAssessmentQmeanPreset = (0, representation_preset_1.StructureRepr
|
|
|
226
226
|
if (!structureCell || !structure)
|
|
227
227
|
return [2 /*return*/, {}];
|
|
228
228
|
colorTheme = qmean_1.QmeanScoreColorThemeProvider.name;
|
|
229
|
-
return [4 /*yield*/, representation_preset_1.PresetStructureRepresentations.auto.apply(ref,
|
|
229
|
+
return [4 /*yield*/, representation_preset_1.PresetStructureRepresentations.auto.apply(ref, tslib_1.__assign(tslib_1.__assign({}, params), { theme: { globalName: colorTheme, focus: { name: colorTheme } } }), plugin)];
|
|
230
230
|
case 1: return [2 /*return*/, _b.sent()];
|
|
231
231
|
}
|
|
232
232
|
});
|
|
@@ -86,9 +86,9 @@ exports.PLDDTConfidenceColorThemeProvider = {
|
|
|
86
86
|
defaultValues: param_definition_1.ParamDefinition.getDefaultValues(getPLDDTConfidenceColorThemeParams({})),
|
|
87
87
|
isApplicable: function (ctx) { var _a; return !!((_a = ctx.structure) === null || _a === void 0 ? void 0 : _a.models.some(function (m) { return prop_1.QualityAssessment.isApplicable(m, 'pLDDT'); })); },
|
|
88
88
|
ensureCustomProperties: {
|
|
89
|
-
attach: function (ctx, data) { return
|
|
89
|
+
attach: function (ctx, data) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
|
|
90
90
|
var _i, _a, m;
|
|
91
|
-
return
|
|
91
|
+
return tslib_1.__generator(this, function (_b) {
|
|
92
92
|
switch (_b.label) {
|
|
93
93
|
case 0:
|
|
94
94
|
if (!data.structure) return [3 /*break*/, 4];
|
|
@@ -108,9 +108,9 @@ exports.PLDDTConfidenceColorThemeProvider = {
|
|
|
108
108
|
}
|
|
109
109
|
});
|
|
110
110
|
}); },
|
|
111
|
-
detach: function (data) { return
|
|
111
|
+
detach: function (data) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
|
|
112
112
|
var _i, _a, m;
|
|
113
|
-
return
|
|
113
|
+
return tslib_1.__generator(this, function (_b) {
|
|
114
114
|
if (data.structure) {
|
|
115
115
|
for (_i = 0, _a = data.structure.models; _i < _a.length; _i++) {
|
|
116
116
|
m = _a[_i];
|
|
@@ -72,9 +72,9 @@ exports.QmeanScoreColorThemeProvider = {
|
|
|
72
72
|
defaultValues: param_definition_1.ParamDefinition.getDefaultValues(getQmeanScoreColorThemeParams({})),
|
|
73
73
|
isApplicable: function (ctx) { var _a; return !!((_a = ctx.structure) === null || _a === void 0 ? void 0 : _a.models.some(function (m) { return prop_1.QualityAssessment.isApplicable(m, 'qmean'); })); },
|
|
74
74
|
ensureCustomProperties: {
|
|
75
|
-
attach: function (ctx, data) { return
|
|
75
|
+
attach: function (ctx, data) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
|
|
76
76
|
var _i, _a, m;
|
|
77
|
-
return
|
|
77
|
+
return tslib_1.__generator(this, function (_b) {
|
|
78
78
|
switch (_b.label) {
|
|
79
79
|
case 0:
|
|
80
80
|
if (!data.structure) return [3 /*break*/, 4];
|
|
@@ -94,9 +94,9 @@ exports.QmeanScoreColorThemeProvider = {
|
|
|
94
94
|
}
|
|
95
95
|
});
|
|
96
96
|
}); },
|
|
97
|
-
detach: function (data) { return
|
|
97
|
+
detach: function (data) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
|
|
98
98
|
var _i, _a, m;
|
|
99
|
-
return
|
|
99
|
+
return tslib_1.__generator(this, function (_b) {
|
|
100
100
|
if (data.structure) {
|
|
101
101
|
for (_i = 0, _a = data.structure.models; _i < _a.length; _i++) {
|
|
102
102
|
m = _a[_i];
|
|
@@ -43,9 +43,9 @@ var QualityAssessment;
|
|
|
43
43
|
}
|
|
44
44
|
QualityAssessment.isApplicable = isApplicable;
|
|
45
45
|
function obtain(ctx, model, props) {
|
|
46
|
-
return
|
|
46
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
47
47
|
var _a, ma_qa_metric, ma_qa_metric_local, model_id, label_asym_id, label_seq_id, metric_id, metric_value, index, localMetrics, localNames, i, il, name_1, i, il, labelAsymId, entityIndex, rI, name_2;
|
|
48
|
-
return
|
|
48
|
+
return tslib_1.__generator(this, function (_b) {
|
|
49
49
|
if (!model || !mmcif_1.MmcifFormat.is(model.sourceData))
|
|
50
50
|
return [2 /*return*/, Empty];
|
|
51
51
|
_a = model.sourceData.data.db, ma_qa_metric = _a.ma_qa_metric, ma_qa_metric_local = _a.ma_qa_metric_local;
|
|
@@ -115,12 +115,12 @@ exports.QualityAssessmentProvider = custom_model_property_1.CustomModelProperty.
|
|
|
115
115
|
defaultParams: exports.QualityAssessmentParams,
|
|
116
116
|
getParams: function (data) { return exports.QualityAssessmentParams; },
|
|
117
117
|
isApplicable: function (data) { return QualityAssessment.isApplicable(data); },
|
|
118
|
-
obtain: function (ctx, data, props) { return
|
|
118
|
+
obtain: function (ctx, data, props) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
|
|
119
119
|
var p;
|
|
120
|
-
return
|
|
120
|
+
return tslib_1.__generator(this, function (_a) {
|
|
121
121
|
switch (_a.label) {
|
|
122
122
|
case 0:
|
|
123
|
-
p =
|
|
123
|
+
p = tslib_1.__assign(tslib_1.__assign({}, param_definition_1.ParamDefinition.getDefaultValues(exports.QualityAssessmentParams)), props);
|
|
124
124
|
return [4 /*yield*/, QualityAssessment.obtain(ctx, data, p)];
|
|
125
125
|
case 1: return [2 /*return*/, _a.sent()];
|
|
126
126
|
}
|
|
@@ -14,9 +14,9 @@ var date_1 = require("../../mol-util/date");
|
|
|
14
14
|
var download_1 = require("../../mol-util/download");
|
|
15
15
|
var zip_1 = require("../../mol-util/zip/zip");
|
|
16
16
|
function exportHierarchy(plugin, options) {
|
|
17
|
-
return
|
|
17
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
18
18
|
var e_1;
|
|
19
|
-
return
|
|
19
|
+
return tslib_1.__generator(this, function (_a) {
|
|
20
20
|
switch (_a.label) {
|
|
21
21
|
case 0:
|
|
22
22
|
_a.trys.push([0, 2, , 3]);
|
|
@@ -37,10 +37,10 @@ function exportHierarchy(plugin, options) {
|
|
|
37
37
|
exports.exportHierarchy = exportHierarchy;
|
|
38
38
|
function _exportHierarchy(plugin, options) {
|
|
39
39
|
var _this = this;
|
|
40
|
-
return mol_task_1.Task.create('Export', function (ctx) { return
|
|
40
|
+
return mol_task_1.Task.create('Export', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
|
|
41
41
|
var format, structures, files, entryMap, _i, structures_1, _s, s, name_1, zipData, _a, files_1, _b, fn, data, bytes, buffer;
|
|
42
42
|
var _c, _d, _e, _f, _g, _h, _j, _k;
|
|
43
|
-
return
|
|
43
|
+
return tslib_1.__generator(this, function (_l) {
|
|
44
44
|
switch (_l.label) {
|
|
45
45
|
case 0: return [4 /*yield*/, ctx.update({ message: 'Exporting...', isIndeterminate: true, canAbort: false })];
|
|
46
46
|
case 1:
|
|
@@ -16,7 +16,7 @@ exports.ModelExport = behavior_1.PluginBehavior.create({
|
|
|
16
16
|
name: 'Model Export'
|
|
17
17
|
},
|
|
18
18
|
ctor: /** @class */ (function (_super) {
|
|
19
|
-
|
|
19
|
+
tslib_1.__extends(class_1, _super);
|
|
20
20
|
function class_1() {
|
|
21
21
|
return _super !== null && _super.apply(this, arguments) || this;
|
|
22
22
|
}
|
|
@@ -17,7 +17,7 @@ var use_behavior_1 = require("../../mol-plugin-ui/hooks/use-behavior");
|
|
|
17
17
|
var param_definition_1 = require("../../mol-util/param-definition");
|
|
18
18
|
var export_1 = require("./export");
|
|
19
19
|
var ModelExportUI = /** @class */ (function (_super) {
|
|
20
|
-
|
|
20
|
+
tslib_1.__extends(ModelExportUI, _super);
|
|
21
21
|
function ModelExportUI() {
|
|
22
22
|
return _super !== null && _super.apply(this, arguments) || this;
|
|
23
23
|
}
|
|
@@ -29,7 +29,7 @@ var ModelExportUI = /** @class */ (function (_super) {
|
|
|
29
29
|
};
|
|
30
30
|
};
|
|
31
31
|
ModelExportUI.prototype.renderControls = function () {
|
|
32
|
-
return (0, jsx_runtime_1.jsx)(ExportControls, { plugin: this.plugin }
|
|
32
|
+
return (0, jsx_runtime_1.jsx)(ExportControls, { plugin: this.plugin });
|
|
33
33
|
};
|
|
34
34
|
return ModelExportUI;
|
|
35
35
|
}(base_1.CollapsableControls));
|
|
@@ -53,8 +53,8 @@ function ExportControls(_a) {
|
|
|
53
53
|
if (hierarchy.structures.length > 1) {
|
|
54
54
|
label = 'Export (as ZIP)';
|
|
55
55
|
}
|
|
56
|
-
var onExport = function () { return
|
|
57
|
-
return
|
|
56
|
+
var onExport = function () { return tslib_1.__awaiter(_this, void 0, void 0, function () {
|
|
57
|
+
return tslib_1.__generator(this, function (_a) {
|
|
58
58
|
switch (_a.label) {
|
|
59
59
|
case 0:
|
|
60
60
|
setExporting(true);
|
|
@@ -72,5 +72,5 @@ function ExportControls(_a) {
|
|
|
72
72
|
}
|
|
73
73
|
});
|
|
74
74
|
}); };
|
|
75
|
-
return (0, jsx_runtime_1.jsxs)(jsx_runtime_1.Fragment, { children: [(0, jsx_runtime_1.jsx)(parameters_1.ParameterControls, { params: Params, values: params, onChangeValues: setParams, isDisabled: isBusy || exporting }
|
|
75
|
+
return (0, jsx_runtime_1.jsxs)(jsx_runtime_1.Fragment, { children: [(0, jsx_runtime_1.jsx)(parameters_1.ParameterControls, { params: Params, values: params, onChangeValues: setParams, isDisabled: isBusy || exporting }), (0, jsx_runtime_1.jsx)(common_1.Button, tslib_1.__assign({ onClick: onExport, style: { marginTop: 1 }, disabled: isBusy || hierarchy.structures.length === 0 || exporting, commit: hierarchy.structures.length ? 'on' : 'off' }, { children: label }))] });
|
|
76
76
|
}
|
|
@@ -16,7 +16,7 @@ exports.Mp4AnimationParams = {
|
|
|
16
16
|
quantization: param_definition_1.ParamDefinition.Numeric(18, { min: 10, max: 51 }, { description: 'Lower is better, but slower.' })
|
|
17
17
|
};
|
|
18
18
|
var Mp4Controls = /** @class */ (function (_super) {
|
|
19
|
-
|
|
19
|
+
tslib_1.__extends(Mp4Controls, _super);
|
|
20
20
|
function Mp4Controls(plugin) {
|
|
21
21
|
var _this = _super.call(this) || this;
|
|
22
22
|
_this.plugin = plugin;
|
|
@@ -45,7 +45,7 @@ var Mp4Controls = /** @class */ (function (_super) {
|
|
|
45
45
|
this.behaviors.canApply.next((_b = (_a = anim.canApply) === null || _a === void 0 ? void 0 : _a.call(anim, this.plugin)) !== null && _b !== void 0 ? _b : { canApply: true });
|
|
46
46
|
};
|
|
47
47
|
Mp4Controls.prototype.setCurrentParams = function (values) {
|
|
48
|
-
this.behaviors.current.next(
|
|
48
|
+
this.behaviors.current.next(tslib_1.__assign(tslib_1.__assign({}, this.behaviors.current.value), { values: values }));
|
|
49
49
|
};
|
|
50
50
|
Object.defineProperty(Mp4Controls.prototype, "current", {
|
|
51
51
|
get: function () {
|
|
@@ -56,16 +56,16 @@ var Mp4Controls = /** @class */ (function (_super) {
|
|
|
56
56
|
});
|
|
57
57
|
Mp4Controls.prototype.render = function () {
|
|
58
58
|
var _this = this;
|
|
59
|
-
var task = mol_task_1.Task.create('Export Animation', function (ctx) { return
|
|
59
|
+
var task = mol_task_1.Task.create('Export Animation', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
|
|
60
60
|
var resolution, anim, movie, filename, e_1;
|
|
61
61
|
var _a, _b, _c;
|
|
62
|
-
return
|
|
62
|
+
return tslib_1.__generator(this, function (_d) {
|
|
63
63
|
switch (_d.label) {
|
|
64
64
|
case 0:
|
|
65
65
|
_d.trys.push([0, 2, , 3]);
|
|
66
66
|
resolution = (_a = this.plugin.helpers.viewportScreenshot) === null || _a === void 0 ? void 0 : _a.getSizeAndViewport();
|
|
67
67
|
anim = this.current;
|
|
68
|
-
return [4 /*yield*/, (0, encoder_1.encodeMp4Animation)(this.plugin, ctx,
|
|
68
|
+
return [4 /*yield*/, (0, encoder_1.encodeMp4Animation)(this.plugin, ctx, tslib_1.__assign(tslib_1.__assign({ animation: {
|
|
69
69
|
definition: anim.anim,
|
|
70
70
|
params: anim.values,
|
|
71
71
|
} }, resolution), { quantizationParameter: this.behaviors.params.value.quantization, pass: (_b = this.plugin.helpers.viewportScreenshot) === null || _b === void 0 ? void 0 : _b.imagePass }))];
|