molstar 3.3.1 → 3.4.0
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/README.md +3 -0
- package/build/viewer/molstar.js +1 -1
- package/lib/apps/docking-viewer/viewport.js +1 -1
- package/lib/apps/viewer/app.d.ts +7 -6
- package/lib/apps/viewer/app.js +2 -0
- package/lib/cli/chem-comp-dict/create-saccharides.d.ts +7 -0
- package/lib/cli/chem-comp-dict/create-saccharides.js +67 -0
- package/lib/commonjs/apps/docking-viewer/index.js +12 -12
- package/lib/commonjs/apps/docking-viewer/viewport.js +33 -33
- package/lib/commonjs/apps/viewer/app.d.ts +7 -6
- package/lib/commonjs/apps/viewer/app.js +24 -22
- package/lib/commonjs/apps/viewer/index.js +1 -1
- package/lib/commonjs/cli/chem-comp-dict/create-ions.js +6 -6
- package/lib/commonjs/cli/chem-comp-dict/create-saccharides.d.ts +7 -0
- package/lib/commonjs/cli/chem-comp-dict/create-saccharides.js +69 -0
- package/lib/commonjs/cli/chem-comp-dict/create-table.js +8 -8
- package/lib/commonjs/cli/chem-comp-dict/util.js +17 -17
- package/lib/commonjs/cli/cif2bcif/converter.js +9 -9
- package/lib/commonjs/cli/cif2bcif/index.js +8 -8
- package/lib/commonjs/cli/cifschema/index.js +27 -27
- package/lib/commonjs/cli/cifschema/util/cif-dic.js +1 -1
- package/lib/commonjs/cli/lipid-params/index.js +9 -9
- package/lib/commonjs/cli/state-docs/index.js +2 -2
- package/lib/commonjs/cli/structure-info/helpers.js +11 -11
- package/lib/commonjs/cli/structure-info/model.js +15 -15
- package/lib/commonjs/cli/structure-info/volume.js +9 -9
- package/lib/commonjs/examples/alpha-orbitals/controls.js +3 -3
- package/lib/commonjs/examples/alpha-orbitals/index.js +11 -11
- package/lib/commonjs/examples/basic-wrapper/controls.js +2 -2
- package/lib/commonjs/examples/basic-wrapper/index.js +22 -22
- package/lib/commonjs/examples/basic-wrapper/superposition.js +8 -8
- package/lib/commonjs/examples/domain-annotation-server/mapping.js +3 -3
- package/lib/commonjs/examples/domain-annotation-server/server.js +6 -6
- package/lib/commonjs/examples/domain-annotation-server/test.js +3 -3
- package/lib/commonjs/examples/lighting/index.js +6 -6
- package/lib/commonjs/examples/proteopedia-wrapper/annotation.js +2 -2
- package/lib/commonjs/examples/proteopedia-wrapper/helpers.js +4 -4
- package/lib/commonjs/examples/proteopedia-wrapper/index.js +26 -26
- package/lib/commonjs/examples/proteopedia-wrapper/ui/controls.js +2 -2
- package/lib/commonjs/examples/task.js +15 -15
- package/lib/commonjs/extensions/alpha-orbitals/collocation.js +2 -2
- package/lib/commonjs/extensions/alpha-orbitals/data-model.js +1 -1
- package/lib/commonjs/extensions/alpha-orbitals/density.js +2 -2
- package/lib/commonjs/extensions/alpha-orbitals/gpu/compute.js +2 -2
- package/lib/commonjs/extensions/alpha-orbitals/orbitals.js +2 -2
- package/lib/commonjs/extensions/alpha-orbitals/transforms.js +13 -13
- package/lib/commonjs/extensions/anvil/algorithm.js +13 -13
- package/lib/commonjs/extensions/anvil/behavior.js +14 -14
- package/lib/commonjs/extensions/anvil/prop.js +7 -7
- package/lib/commonjs/extensions/anvil/representation.js +5 -5
- package/lib/commonjs/extensions/cellpack/index.js +1 -1
- package/lib/commonjs/extensions/cellpack/model.js +26 -24
- package/lib/commonjs/extensions/cellpack/preset.js +6 -6
- package/lib/commonjs/extensions/cellpack/property.js +3 -3
- package/lib/commonjs/extensions/cellpack/representation.js +2 -2
- package/lib/commonjs/extensions/cellpack/state.js +13 -13
- package/lib/commonjs/extensions/cellpack/util.js +14 -14
- package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.js +7 -7
- package/lib/commonjs/extensions/dnatco/confal-pyramids/property.js +5 -5
- package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.js +2 -2
- package/lib/commonjs/extensions/dnatco/confal-pyramids/util.js +1 -1
- package/lib/commonjs/extensions/g3d/data.js +6 -6
- package/lib/commonjs/extensions/g3d/format.js +14 -14
- package/lib/commonjs/extensions/g3d/model.js +4 -4
- package/lib/commonjs/extensions/geo-export/controls.js +3 -3
- package/lib/commonjs/extensions/geo-export/glb-exporter.js +9 -9
- package/lib/commonjs/extensions/geo-export/index.js +1 -1
- package/lib/commonjs/extensions/geo-export/mesh-exporter.js +12 -12
- package/lib/commonjs/extensions/geo-export/obj-exporter.js +7 -7
- package/lib/commonjs/extensions/geo-export/stl-exporter.js +7 -7
- package/lib/commonjs/extensions/geo-export/ui.js +7 -7
- package/lib/commonjs/extensions/geo-export/usdz-exporter.js +9 -9
- package/lib/commonjs/extensions/model-archive/quality-assessment/behavior.js +9 -9
- package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.js +4 -4
- package/lib/commonjs/extensions/model-archive/quality-assessment/color/qmean.js +4 -4
- package/lib/commonjs/extensions/model-archive/quality-assessment/prop.js +5 -5
- package/lib/commonjs/extensions/model-export/export.js +4 -4
- package/lib/commonjs/extensions/model-export/index.js +1 -1
- package/lib/commonjs/extensions/model-export/ui.js +5 -5
- package/lib/commonjs/extensions/mp4-export/controls.js +5 -5
- package/lib/commonjs/extensions/mp4-export/encoder.js +4 -4
- package/lib/commonjs/extensions/mp4-export/index.js +1 -1
- package/lib/commonjs/extensions/mp4-export/ui.js +5 -5
- package/lib/commonjs/extensions/pdbe/preferred-assembly.js +2 -2
- package/lib/commonjs/extensions/pdbe/struct-ref-domain.js +2 -2
- package/lib/commonjs/extensions/pdbe/structure-quality-report/behavior.js +1 -1
- package/lib/commonjs/extensions/pdbe/structure-quality-report/prop.js +8 -8
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.js +17 -17
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js +2 -2
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/prop.js +9 -9
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.js +6 -6
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/ui.js +9 -9
- package/lib/commonjs/extensions/rcsb/validation-report/behavior.js +17 -17
- package/lib/commonjs/extensions/rcsb/validation-report/prop.js +15 -15
- package/lib/commonjs/extensions/rcsb/validation-report/representation.js +3 -3
- package/lib/commonjs/extensions/zenodo/index.d.ts +7 -0
- package/lib/commonjs/extensions/zenodo/index.js +35 -0
- package/lib/commonjs/extensions/zenodo/ui.d.ts +61 -0
- package/lib/commonjs/extensions/zenodo/ui.js +306 -0
- package/lib/commonjs/mol-canvas3d/camera/stereo.js +1 -1
- package/lib/commonjs/mol-canvas3d/camera/util.js +1 -1
- package/lib/commonjs/mol-canvas3d/camera.js +2 -1
- package/lib/commonjs/mol-canvas3d/canvas3d.js +14 -14
- package/lib/commonjs/mol-canvas3d/controls/trackball.js +1 -1
- package/lib/commonjs/mol-canvas3d/helper/bounding-sphere-helper.js +1 -1
- package/lib/commonjs/mol-canvas3d/helper/camera-helper.js +5 -5
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.js +5 -5
- package/lib/commonjs/mol-canvas3d/helper/helper.js +1 -1
- package/lib/commonjs/mol-canvas3d/helper/interaction-events.js +2 -2
- package/lib/commonjs/mol-canvas3d/passes/draw.js +3 -3
- package/lib/commonjs/mol-canvas3d/passes/fxaa.js +3 -3
- package/lib/commonjs/mol-canvas3d/passes/image.js +1 -1
- package/lib/commonjs/mol-canvas3d/passes/marking.js +6 -6
- package/lib/commonjs/mol-canvas3d/passes/multi-sample.js +3 -3
- package/lib/commonjs/mol-canvas3d/passes/postprocessing.js +12 -12
- package/lib/commonjs/mol-canvas3d/passes/smaa.js +9 -9
- package/lib/commonjs/mol-canvas3d/passes/wboit.js +3 -3
- package/lib/commonjs/mol-canvas3d/util.js +2 -2
- package/lib/commonjs/mol-data/db/column.js +2 -2
- package/lib/commonjs/mol-data/db/table.js +1 -1
- package/lib/commonjs/mol-data/db.js +1 -1
- package/lib/commonjs/mol-data/generic.js +3 -3
- package/lib/commonjs/mol-data/index.js +4 -4
- package/lib/commonjs/mol-data/int/interval.js +1 -1
- package/lib/commonjs/mol-data/int/ordered-set.js +1 -1
- package/lib/commonjs/mol-data/int/segmentation.js +1 -1
- package/lib/commonjs/mol-data/int/sorted-array.js +1 -1
- package/lib/commonjs/mol-data/util.js +7 -7
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.js +3 -3
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +3 -3
- package/lib/commonjs/mol-geo/geometry/direct-volume/transfer-function.js +1 -1
- package/lib/commonjs/mol-geo/geometry/image/image.js +3 -3
- package/lib/commonjs/mol-geo/geometry/lines/lines.js +3 -3
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +3 -3
- package/lib/commonjs/mol-geo/geometry/points/points.js +3 -3
- package/lib/commonjs/mol-geo/geometry/size-data.js +1 -1
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.js +3 -3
- package/lib/commonjs/mol-geo/geometry/text/font-atlas.js +1 -1
- package/lib/commonjs/mol-geo/geometry/text/text-builder.js +3 -2
- package/lib/commonjs/mol-geo/geometry/text/text.js +3 -3
- package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js +4 -4
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +3 -3
- package/lib/commonjs/mol-geo/primitive/circle.js +1 -1
- package/lib/commonjs/mol-geo/primitive/cylinder.js +1 -1
- package/lib/commonjs/mol-geo/primitive/polyhedron.js +1 -1
- package/lib/commonjs/mol-geo/primitive/prism.js +1 -1
- package/lib/commonjs/mol-geo/primitive/star.js +1 -1
- package/lib/commonjs/mol-geo/primitive/torus.js +1 -1
- package/lib/commonjs/mol-geo/util/marching-cubes/algorithm.js +9 -9
- package/lib/commonjs/mol-gl/compute/grid3d.js +5 -5
- package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js +3 -3
- package/lib/commonjs/mol-gl/compute/histogram-pyramid/sum.js +3 -3
- package/lib/commonjs/mol-gl/compute/marching-cubes/active-voxels.js +3 -3
- package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.js +3 -3
- package/lib/commonjs/mol-gl/compute/util.js +3 -3
- package/lib/commonjs/mol-gl/renderable/cylinders.js +3 -3
- package/lib/commonjs/mol-gl/renderable/direct-volume.js +3 -3
- package/lib/commonjs/mol-gl/renderable/image.js +3 -3
- package/lib/commonjs/mol-gl/renderable/lines.js +3 -3
- package/lib/commonjs/mol-gl/renderable/mesh.js +3 -3
- package/lib/commonjs/mol-gl/renderable/points.js +3 -3
- package/lib/commonjs/mol-gl/renderable/schema.js +1 -1
- package/lib/commonjs/mol-gl/renderable/spheres.js +3 -3
- package/lib/commonjs/mol-gl/renderable/text.js +3 -3
- package/lib/commonjs/mol-gl/renderable/texture-mesh.js +3 -3
- package/lib/commonjs/mol-gl/renderable/util.js +1 -1
- package/lib/commonjs/mol-gl/shader-code.js +2 -1
- package/lib/commonjs/mol-gl/webgl/buffer.js +4 -5
- package/lib/commonjs/mol-gl/webgl/context.js +3 -3
- package/lib/commonjs/mol-gl/webgl/render-item.js +1 -1
- package/lib/commonjs/mol-gl/webgl/resources.js +2 -2
- package/lib/commonjs/mol-io/common/binary-cif/classifier.js +7 -6
- package/lib/commonjs/mol-io/common/binary-cif/decoder.js +4 -3
- package/lib/commonjs/mol-io/common/binary-cif.js +3 -3
- package/lib/commonjs/mol-io/common/io-buffer.d.ts +206 -0
- package/lib/commonjs/mol-io/common/io-buffer.js +408 -0
- package/lib/commonjs/mol-io/common/netcdf/reader.d.ts +78 -0
- package/lib/commonjs/mol-io/common/netcdf/reader.js +459 -0
- package/lib/commonjs/mol-io/common/typed-array.js +2 -2
- package/lib/commonjs/mol-io/reader/ccp4/parser.js +8 -8
- package/lib/commonjs/mol-io/reader/cif/binary/parser.js +3 -3
- package/lib/commonjs/mol-io/reader/cif/data-model.js +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif-extras.js +2 -2
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif.d.ts +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema.js +2 -2
- package/lib/commonjs/mol-io/reader/cif/text/parser.js +7 -7
- package/lib/commonjs/mol-io/reader/cif.js +1 -1
- package/lib/commonjs/mol-io/reader/common/text/tokenizer.js +4 -4
- package/lib/commonjs/mol-io/reader/csv/data-model.js +1 -1
- package/lib/commonjs/mol-io/reader/csv/parser.js +7 -7
- package/lib/commonjs/mol-io/reader/cube/parser.js +2 -2
- package/lib/commonjs/mol-io/reader/dcd/parser.js +2 -2
- package/lib/commonjs/mol-io/reader/dsn6/parser.js +8 -8
- package/lib/commonjs/mol-io/reader/dx/parser.js +4 -4
- package/lib/commonjs/mol-io/reader/gro/parser.js +6 -6
- package/lib/commonjs/mol-io/reader/mol/parser.js +2 -2
- package/lib/commonjs/mol-io/reader/mol2/parser.js +8 -8
- package/lib/commonjs/mol-io/reader/nctraj/parser.d.ts +18 -0
- package/lib/commonjs/mol-io/reader/nctraj/parser.js +101 -0
- package/lib/commonjs/mol-io/reader/obj/parser.js +4 -4
- package/lib/commonjs/mol-io/reader/pdb/parser.js +2 -2
- package/lib/commonjs/mol-io/reader/ply/parser.js +4 -4
- package/lib/commonjs/mol-io/reader/prmtop/parser.d.ts +58 -0
- package/lib/commonjs/mol-io/reader/prmtop/parser.js +172 -0
- package/lib/commonjs/mol-io/reader/psf/parser.js +8 -8
- package/lib/commonjs/mol-io/reader/sdf/parser.js +2 -2
- package/lib/commonjs/mol-io/reader/top/parser.d.ts +37 -0
- package/lib/commonjs/mol-io/reader/top/parser.js +303 -0
- package/lib/commonjs/mol-io/reader/trr/parser.d.ts +22 -0
- package/lib/commonjs/mol-io/reader/trr/parser.js +146 -0
- package/lib/commonjs/mol-io/reader/xtc/parser.js +4 -4
- package/lib/commonjs/mol-io/reader/xyz/parser.js +2 -2
- package/lib/commonjs/mol-io/writer/cif/encoder.js +3 -2
- package/lib/commonjs/mol-io/writer/cif.js +1 -1
- package/lib/commonjs/mol-io/writer/ligand-encoder.js +1 -1
- package/lib/commonjs/mol-io/writer/mol/encoder.js +1 -1
- package/lib/commonjs/mol-io/writer/mol2/encoder.js +1 -1
- package/lib/commonjs/mol-math/geometry/boundary-helper.js +5 -5
- package/lib/commonjs/mol-math/geometry/gaussian-density/cpu.js +4 -4
- package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.js +1 -1
- package/lib/commonjs/mol-math/geometry/gaussian-density.js +4 -4
- package/lib/commonjs/mol-math/geometry/molecular-surface.js +8 -8
- package/lib/commonjs/mol-math/geometry/primitives/sphere3d.js +1 -1
- package/lib/commonjs/mol-math/geometry.js +8 -8
- package/lib/commonjs/mol-math/graph/inter-unit-graph.js +1 -1
- package/lib/commonjs/mol-math/graph.js +1 -1
- package/lib/commonjs/mol-math/linear-algebra.js +2 -2
- package/lib/commonjs/mol-model/sequence/alignment/alignment.js +1 -1
- package/lib/commonjs/mol-model/sequence/sequence.js +2 -1
- package/lib/commonjs/mol-model/sequence.js +1 -1
- package/lib/commonjs/mol-model/shape.js +1 -1
- package/lib/commonjs/mol-model/structure/coordinates.js +1 -1
- package/lib/commonjs/mol-model/structure/export/categories/secondary-structure.js +2 -2
- package/lib/commonjs/mol-model/structure/model/model.js +3 -3
- package/lib/commonjs/mol-model/structure/model/properties/atomic.js +3 -3
- package/lib/commonjs/mol-model/structure/model/properties/coarse.js +2 -2
- package/lib/commonjs/mol-model/structure/model/types/saccharides.d.ts +8 -0
- package/lib/commonjs/mol-model/structure/model/types/saccharides.js +11 -0
- package/lib/commonjs/mol-model/structure/model.js +3 -3
- package/lib/commonjs/mol-model/structure/query/queries/generators.js +2 -2
- package/lib/commonjs/mol-model/structure/query/queries/modifiers.js +2 -2
- package/lib/commonjs/mol-model/structure/query.js +6 -6
- package/lib/commonjs/mol-model/structure/structure/carbohydrates/compute.js +1 -1
- package/lib/commonjs/mol-model/structure/structure/carbohydrates/constants.d.ts +1 -1
- package/lib/commonjs/mol-model/structure/structure/carbohydrates/constants.js +6 -9
- package/lib/commonjs/mol-model/structure/structure/element/element.js +5 -5
- package/lib/commonjs/mol-model/structure/structure/element.js +1 -1
- package/lib/commonjs/mol-model/structure/structure/structure.js +5 -5
- package/lib/commonjs/mol-model/structure/structure/symmetry.js +10 -10
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/data.js +2 -2
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.js +3 -3
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/intra-compute.js +1 -1
- package/lib/commonjs/mol-model/structure/structure/unit/bonds.js +3 -3
- package/lib/commonjs/mol-model/structure/structure/unit.js +4 -4
- package/lib/commonjs/mol-model/structure/structure/util/superposition.js +1 -1
- package/lib/commonjs/mol-model/structure/structure.js +2 -2
- package/lib/commonjs/mol-model/structure/topology.js +1 -1
- package/lib/commonjs/mol-model/structure.js +6 -6
- package/lib/commonjs/mol-model/volume.js +2 -2
- package/lib/commonjs/mol-model-formats/shape/ply.js +7 -7
- package/lib/commonjs/mol-model-formats/structure/basic/atomic.d.ts +1 -1
- package/lib/commonjs/mol-model-formats/structure/basic/atomic.js +2 -15
- package/lib/commonjs/mol-model-formats/structure/basic/coarse.js +3 -3
- package/lib/commonjs/mol-model-formats/structure/basic/entities.js +1 -1
- package/lib/commonjs/mol-model-formats/structure/basic/parser.d.ts +1 -1
- package/lib/commonjs/mol-model-formats/structure/basic/parser.js +10 -10
- package/lib/commonjs/mol-model-formats/structure/basic/schema.d.ts +2 -2
- package/lib/commonjs/mol-model-formats/structure/basic/schema.js +7 -2
- package/lib/commonjs/mol-model-formats/structure/basic/sort.js +2 -2
- package/lib/commonjs/mol-model-formats/structure/basic/util.d.ts +33 -2
- package/lib/commonjs/mol-model-formats/structure/basic/util.js +26 -2
- package/lib/commonjs/mol-model-formats/structure/cif-core.js +6 -6
- package/lib/commonjs/mol-model-formats/structure/common/component.js +5 -1
- package/lib/commonjs/mol-model-formats/structure/cube.js +5 -5
- package/lib/commonjs/mol-model-formats/structure/dcd.js +2 -2
- package/lib/commonjs/mol-model-formats/structure/gro.js +5 -3
- package/lib/commonjs/mol-model-formats/structure/mmcif.d.ts +1 -1
- package/lib/commonjs/mol-model-formats/structure/mmcif.js +4 -2
- package/lib/commonjs/mol-model-formats/structure/mol.js +5 -5
- package/lib/commonjs/mol-model-formats/structure/mol2.js +6 -6
- package/lib/commonjs/mol-model-formats/structure/nctraj.d.ts +9 -0
- package/lib/commonjs/mol-model-formats/structure/nctraj.js +60 -0
- package/lib/commonjs/mol-model-formats/structure/pdb/to-cif.js +2 -2
- package/lib/commonjs/mol-model-formats/structure/pdb.d.ts +1 -1
- package/lib/commonjs/mol-model-formats/structure/pdb.js +7 -5
- package/lib/commonjs/mol-model-formats/structure/prmtop.d.ts +16 -0
- package/lib/commonjs/mol-model-formats/structure/prmtop.js +147 -0
- package/lib/commonjs/mol-model-formats/structure/property/bonds/index-pair.js +1 -1
- package/lib/commonjs/mol-model-formats/structure/property/symmetry.js +11 -1
- package/lib/commonjs/mol-model-formats/structure/psf.js +5 -3
- package/lib/commonjs/mol-model-formats/structure/top.d.ts +16 -0
- package/lib/commonjs/mol-model-formats/structure/top.js +189 -0
- package/lib/commonjs/mol-model-formats/structure/trr.d.ts +9 -0
- package/lib/commonjs/mol-model-formats/structure/trr.js +46 -0
- package/lib/commonjs/mol-model-formats/structure/util.d.ts +2 -2
- package/lib/commonjs/mol-model-formats/structure/util.js +19 -20
- package/lib/commonjs/mol-model-formats/structure/xtc.js +2 -2
- package/lib/commonjs/mol-model-formats/structure/xyz.js +2 -2
- package/lib/commonjs/mol-model-formats/volume/ccp4.js +2 -2
- package/lib/commonjs/mol-model-formats/volume/cube.js +2 -2
- package/lib/commonjs/mol-model-formats/volume/density-server.js +2 -2
- package/lib/commonjs/mol-model-formats/volume/dsn6.js +2 -2
- package/lib/commonjs/mol-model-formats/volume/dx.js +2 -2
- package/lib/commonjs/mol-model-props/common/custom-element-property.js +2 -2
- package/lib/commonjs/mol-model-props/common/custom-model-property.js +5 -5
- package/lib/commonjs/mol-model-props/common/custom-property.js +1 -1
- package/lib/commonjs/mol-model-props/common/custom-structure-property.js +6 -6
- package/lib/commonjs/mol-model-props/computed/accessible-surface-area/shrake-rupley/area.js +2 -2
- package/lib/commonjs/mol-model-props/computed/accessible-surface-area/shrake-rupley.js +5 -5
- package/lib/commonjs/mol-model-props/computed/accessible-surface-area.js +4 -4
- package/lib/commonjs/mol-model-props/computed/chemistry/valence-model.js +3 -3
- package/lib/commonjs/mol-model-props/computed/helix-orientation.js +2 -2
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- package/lib/commonjs/servers/volume/pack/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/basic-wrapper/controls.js +1 -1
- package/lib/examples/proteopedia-wrapper/ui/controls.js +1 -1
- package/lib/extensions/cellpack/model.js +4 -2
- package/lib/extensions/cellpack/state.js +2 -2
- package/lib/extensions/geo-export/ui.js +2 -2
- package/lib/extensions/model-export/ui.js +2 -2
- package/lib/extensions/mp4-export/ui.js +2 -2
- package/lib/extensions/rcsb/assembly-symmetry/ui.js +3 -3
- package/lib/extensions/zenodo/index.d.ts +7 -0
- package/lib/extensions/zenodo/index.js +32 -0
- package/lib/extensions/zenodo/ui.d.ts +61 -0
- package/lib/extensions/zenodo/ui.js +303 -0
- package/lib/mol-canvas3d/camera.js +2 -1
- package/lib/mol-canvas3d/helper/camera-helper.js +1 -1
- package/lib/mol-canvas3d/helper/handle-helper.js +1 -1
- package/lib/mol-canvas3d/helper/interaction-events.js +1 -1
- package/lib/mol-geo/geometry/text/text-builder.js +2 -1
- package/lib/mol-gl/shader-code.js +2 -1
- package/lib/mol-gl/webgl/buffer.js +2 -3
- package/lib/mol-io/common/binary-cif/classifier.js +3 -2
- package/lib/mol-io/common/binary-cif/decoder.js +4 -3
- package/lib/mol-io/common/io-buffer.d.ts +206 -0
- package/lib/mol-io/common/io-buffer.js +405 -0
- package/lib/mol-io/common/netcdf/reader.d.ts +78 -0
- package/lib/mol-io/common/netcdf/reader.js +456 -0
- package/lib/mol-io/reader/cif/schema/mmcif.d.ts +1 -1
- package/lib/mol-io/reader/nctraj/parser.d.ts +18 -0
- package/lib/mol-io/reader/nctraj/parser.js +97 -0
- package/lib/mol-io/reader/prmtop/parser.d.ts +58 -0
- package/lib/mol-io/reader/prmtop/parser.js +168 -0
- package/lib/mol-io/reader/top/parser.d.ts +37 -0
- package/lib/mol-io/reader/top/parser.js +299 -0
- package/lib/mol-io/reader/trr/parser.d.ts +22 -0
- package/lib/mol-io/reader/trr/parser.js +142 -0
- package/lib/mol-io/writer/cif/encoder.js +2 -1
- package/lib/mol-model/sequence/sequence.js +2 -1
- package/lib/mol-model/structure/model/types/saccharides.d.ts +8 -0
- package/lib/mol-model/structure/model/types/saccharides.js +8 -0
- package/lib/mol-model/structure/structure/carbohydrates/constants.d.ts +1 -1
- package/lib/mol-model/structure/structure/carbohydrates/constants.js +6 -9
- package/lib/mol-model-formats/structure/basic/atomic.d.ts +1 -1
- package/lib/mol-model-formats/structure/basic/atomic.js +1 -14
- package/lib/mol-model-formats/structure/basic/parser.d.ts +1 -1
- package/lib/mol-model-formats/structure/basic/parser.js +1 -1
- package/lib/mol-model-formats/structure/basic/schema.d.ts +2 -2
- package/lib/mol-model-formats/structure/basic/schema.js +7 -2
- package/lib/mol-model-formats/structure/basic/util.d.ts +33 -2
- package/lib/mol-model-formats/structure/basic/util.js +24 -1
- package/lib/mol-model-formats/structure/cif-core.js +4 -4
- package/lib/mol-model-formats/structure/common/component.js +5 -1
- package/lib/mol-model-formats/structure/cube.js +3 -3
- package/lib/mol-model-formats/structure/gro.js +3 -1
- package/lib/mol-model-formats/structure/mmcif.d.ts +1 -1
- package/lib/mol-model-formats/structure/mmcif.js +4 -2
- package/lib/mol-model-formats/structure/mol.js +3 -3
- package/lib/mol-model-formats/structure/mol2.js +4 -4
- package/lib/mol-model-formats/structure/nctraj.d.ts +9 -0
- package/lib/mol-model-formats/structure/nctraj.js +56 -0
- package/lib/mol-model-formats/structure/pdb.d.ts +1 -1
- package/lib/mol-model-formats/structure/pdb.js +5 -3
- package/lib/mol-model-formats/structure/prmtop.d.ts +16 -0
- package/lib/mol-model-formats/structure/prmtop.js +144 -0
- package/lib/mol-model-formats/structure/property/symmetry.js +11 -1
- package/lib/mol-model-formats/structure/psf.js +3 -1
- package/lib/mol-model-formats/structure/top.d.ts +16 -0
- package/lib/mol-model-formats/structure/top.js +186 -0
- package/lib/mol-model-formats/structure/trr.d.ts +9 -0
- package/lib/mol-model-formats/structure/trr.js +42 -0
- package/lib/mol-model-formats/structure/util.d.ts +2 -2
- package/lib/mol-model-formats/structure/util.js +19 -20
- package/lib/mol-model-formats/structure/xyz.js +2 -2
- package/lib/mol-plugin/context.d.ts +2 -1
- package/lib/mol-plugin/context.js +4 -3
- package/lib/mol-plugin/spec.js +1 -1
- package/lib/mol-plugin/version.js +2 -2
- package/lib/mol-plugin-state/actions/file.d.ts +1 -1
- package/lib/mol-plugin-state/actions/file.js +88 -55
- package/lib/mol-plugin-state/actions/structure.d.ts +11 -2
- package/lib/mol-plugin-state/actions/structure.js +174 -4
- package/lib/mol-plugin-state/actions/volume.js +3 -2
- package/lib/mol-plugin-state/formats/{structure.d.ts → coordinates.d.ts} +34 -18
- package/lib/mol-plugin-state/formats/coordinates.js +67 -0
- package/lib/mol-plugin-state/formats/registry.d.ts +3 -3
- package/lib/mol-plugin-state/formats/registry.js +13 -8
- package/lib/mol-plugin-state/formats/topology.d.ts +73 -0
- package/lib/mol-plugin-state/formats/topology.js +84 -0
- package/lib/mol-plugin-state/helpers/structure-component.js +2 -1
- package/lib/mol-plugin-state/manager/snapshots.js +4 -4
- package/lib/mol-plugin-state/objects.d.ts +47 -1
- package/lib/mol-plugin-state/objects.js +17 -1
- package/lib/mol-plugin-state/transforms/data.d.ts +6 -0
- package/lib/mol-plugin-state/transforms/data.js +61 -9
- package/lib/mol-plugin-state/transforms/model.d.ts +14 -2
- package/lib/mol-plugin-state/transforms/model.js +112 -3
- package/lib/mol-plugin-ui/base.js +1 -1
- package/lib/mol-plugin-ui/controls/action-menu.js +7 -7
- package/lib/mol-plugin-ui/controls/color.js +3 -3
- package/lib/mol-plugin-ui/controls/common.js +10 -10
- package/lib/mol-plugin-ui/controls/icons.js +70 -70
- package/lib/mol-plugin-ui/controls/legend.js +3 -3
- package/lib/mol-plugin-ui/controls/line-graph/line-graph-component.js +1 -1
- package/lib/mol-plugin-ui/controls/parameters.js +51 -51
- package/lib/mol-plugin-ui/controls/screenshot.js +2 -2
- package/lib/mol-plugin-ui/controls/slider.js +5 -5
- package/lib/mol-plugin-ui/controls.js +7 -7
- package/lib/mol-plugin-ui/custom/volume.js +4 -4
- package/lib/mol-plugin-ui/left-panel.d.ts +8 -1
- package/lib/mol-plugin-ui/left-panel.js +33 -12
- package/lib/mol-plugin-ui/plugin.js +10 -10
- package/lib/mol-plugin-ui/sequence/sequence.js +1 -1
- package/lib/mol-plugin-ui/sequence.js +5 -5
- package/lib/mol-plugin-ui/state/actions.js +1 -1
- package/lib/mol-plugin-ui/state/animation.js +1 -1
- package/lib/mol-plugin-ui/state/common.js +7 -7
- package/lib/mol-plugin-ui/state/snapshots.js +9 -9
- package/lib/mol-plugin-ui/state/tree.js +14 -14
- package/lib/mol-plugin-ui/state/update-transform.js +1 -1
- package/lib/mol-plugin-ui/structure/components.js +10 -10
- package/lib/mol-plugin-ui/structure/focus.js +1 -1
- package/lib/mol-plugin-ui/structure/generic.js +4 -4
- package/lib/mol-plugin-ui/structure/measurements.js +8 -8
- package/lib/mol-plugin-ui/structure/quick-styles.js +2 -2
- package/lib/mol-plugin-ui/structure/selection.js +7 -7
- package/lib/mol-plugin-ui/structure/source.js +4 -4
- package/lib/mol-plugin-ui/structure/superposition.js +8 -8
- package/lib/mol-plugin-ui/structure/volume.js +4 -4
- package/lib/mol-plugin-ui/task.js +5 -5
- package/lib/mol-plugin-ui/toast.js +4 -4
- package/lib/mol-plugin-ui/viewport/canvas.js +3 -3
- package/lib/mol-plugin-ui/viewport/help.js +8 -8
- package/lib/mol-plugin-ui/viewport/screenshot.js +3 -3
- package/lib/mol-plugin-ui/viewport/simple-settings.js +1 -1
- package/lib/mol-plugin-ui/viewport.js +4 -4
- package/lib/mol-script/language/parser.js +7 -4
- package/lib/mol-task/util/scheduler.d.ts +2 -2
- package/lib/mol-task/util/scheduler.js +7 -7
- package/lib/mol-theme/color/hydrophobicity.js +2 -2
- package/lib/mol-util/data-source.js +2 -1
- package/lib/mol-util/file-info.d.ts +1 -3
- package/lib/mol-util/file-info.js +2 -10
- package/lib/mol-util/index.d.ts +1 -0
- package/lib/mol-util/index.js +5 -0
- package/lib/mol-util/zip/deflate.js +2 -1
- package/lib/mol-util/zip/zip.d.ts +7 -1
- package/lib/mol-util/zip/zip.js +5 -1
- package/lib/servers/model/config.d.ts +2 -2
- package/package.json +16 -16
- package/lib/commonjs/mol-plugin-state/formats/structure.js +0 -64
- package/lib/mol-plugin-state/formats/structure.js +0 -61
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@@ -25,8 +25,8 @@ var GeometryParams = {
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accOutOfPlaneAngleMax: param_definition_1.ParamDefinition.Numeric(90, { min: 0, max: 180, step: 1 }),
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var HydrogenBondsParams =
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var WeakHydrogenBondsParams =
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var HydrogenBondsParams = tslib_1.__assign(tslib_1.__assign({}, GeometryParams), { water: param_definition_1.ParamDefinition.Boolean(false, { description: 'Include water-to-water hydrogen bonds' }), sulfurDistanceMax: param_definition_1.ParamDefinition.Numeric(4.1, { min: 1, max: 5, step: 0.1 }) });
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var WeakHydrogenBondsParams = tslib_1.__assign({}, GeometryParams);
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//
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return tslib_1.__assign(tslib_1.__assign({}, getGeometryOptions(props)), { includeWater: props.water, maxSulfurDistSq: props.sulfurDistanceMax * props.sulfurDistanceMax, maxDistSq: props.distanceMax * props.distanceMax });
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return
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return tslib_1.__awaiter(this, void 0, void 0, function () {
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var p, contactTesters, requiredFeatures, featureProviders, unitsFeatures, unitsContacts, i, il, group, features, intraUnitContacts, j, jl, u, contacts, interactions;
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return
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p =
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p = tslib_1.__assign(tslib_1.__assign({}, param_definition_1.ParamDefinition.getDefaultValues(exports.InteractionsParams)), props);
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exports.InteractionsParams =
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exports.InteractionsParams = tslib_1.__assign({}, interactions_1.InteractionsParams);
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package/lib/commonjs/mol-model-props/computed/representations/interactions-inter-unit-cylinder.js
CHANGED
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exports.InteractionsInterUnitParams =
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exports.InteractionsInterUnitParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, complex_visual_1.ComplexMeshParams), link_1.LinkCylinderParams), { sizeFactor: param_definition_1.ParamDefinition.Numeric(0.3, { min: 0, max: 10, step: 0.01 }), dashCount: param_definition_1.ParamDefinition.Numeric(6, { min: 2, max: 10, step: 2 }), dashScale: param_definition_1.ParamDefinition.Numeric(0.4, { min: 0, max: 2, step: 0.1 }), includeParent: param_definition_1.ParamDefinition.Boolean(false) });
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function InteractionsInterUnitVisual(materialId) {
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package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js
CHANGED
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function createIntraUnitInteractionsCylinderMesh(ctx, unit, structure, theme, props, mesh) {
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return
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return tslib_1.__awaiter(this, void 0, void 0, function () {
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var child, childUnit, location, interactions, features, contacts, x, y, z, members, offsets, edgeCount, a, b, flag, sizeFactor, builderProps, _a, m, boundingSphere, sphere;
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return
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return tslib_1.__generator(this, function (_b) {
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child = structure.child;
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exports.InteractionsIntraUnitParams =
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exports.InteractionsIntraUnitParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, units_visual_1.UnitsMeshParams), link_1.LinkCylinderParams), { sizeFactor: param_definition_1.ParamDefinition.Numeric(0.3, { min: 0, max: 10, step: 0.01 }), dashCount: param_definition_1.ParamDefinition.Numeric(6, { min: 2, max: 10, step: 2 }), dashScale: param_definition_1.ParamDefinition.Numeric(0.4, { min: 0, max: 2, step: 0.1 }), includeParent: param_definition_1.ParamDefinition.Boolean(false) });
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@@ -18,7 +18,7 @@ var InteractionsVisuals = {
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'intra-unit': function (ctx, getParams) { return (0, representation_2.UnitsRepresentation)('Intra-unit interactions cylinder', ctx, getParams, interactions_intra_unit_cylinder_1.InteractionsIntraUnitVisual); },
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'inter-unit': function (ctx, getParams) { return (0, representation_2.ComplexRepresentation)('Inter-unit interactions cylinder', ctx, getParams, interactions_inter_unit_cylinder_1.InteractionsInterUnitVisual); },
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exports.InteractionsParams =
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exports.InteractionsParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, interactions_intra_unit_cylinder_1.InteractionsIntraUnitParams), interactions_inter_unit_cylinder_1.InteractionsInterUnitParams), { unitKinds: (0, params_1.getUnitKindsParam)(['atomic']), sizeFactor: param_definition_1.ParamDefinition.Numeric(0.2, { min: 0.01, max: 1, step: 0.01 }), visuals: param_definition_1.ParamDefinition.MultiSelect(['intra-unit', 'inter-unit'], param_definition_1.ParamDefinition.objectToOptions(InteractionsVisuals)) });
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@@ -35,9 +35,9 @@ exports.DSSPComputationParams = {
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oldOrdering: param_definition_1.ParamDefinition.Boolean(true, { description: 'Alpha-helices are preferred over 3-10 helices' })
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return
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return tslib_1.__awaiter(this, void 0, void 0, function () {
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var proteinInfo, residueIndices, lookup3d, hbonds, residueCount, flags, torsionAngles, ladders, bridges, getResidueFlag, getFlagName, ctx, assignment, type, keys, elements, getIndex, i, il, assign, flag;
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return
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return tslib_1.__generator(this, function (_a) {
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@@ -46,13 +46,13 @@ exports.SecondaryStructureProvider = custom_structure_property_1.CustomStructure
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obtain: function (ctx, data, props) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
|
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return
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return tslib_1.__generator(this, function (_d) {
|
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|
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p =
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p = tslib_1.__assign(tslib_1.__assign({}, param_definition_1.ParamDefinition.getDefaultValues(exports.SecondaryStructureParams)), props);
|
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_a = p.type.name;
|
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|
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case 'dssp': return [3 /*break*/, 1];
|
|
@@ -73,9 +73,9 @@ exports.SecondaryStructureProvider = custom_structure_property_1.CustomStructure
|
|
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}); }
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|
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|
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|
function computeDssp(structure, props) {
|
|
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return
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return tslib_1.__awaiter(this, void 0, void 0, function () {
|
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|
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return
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return tslib_1.__generator(this, function (_a) {
|
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|
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case 0:
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map = new Map();
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@@ -99,9 +99,9 @@ function computeDssp(structure, props) {
|
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});
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}
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function computeModel(structure) {
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return
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return tslib_1.__awaiter(this, void 0, void 0, function () {
|
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return
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return tslib_1.__generator(this, function (_a) {
|
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map = new Map();
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|
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|
u = structure.unitSymmetryGroups[i].units[0];
|
|
@@ -11,7 +11,7 @@ var param_definition_1 = require("../../mol-util/param-definition");
|
|
|
11
11
|
var valence_model_1 = require("./chemistry/valence-model");
|
|
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|
var custom_structure_property_1 = require("../common/custom-structure-property");
|
|
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13
|
var custom_property_1 = require("../../mol-model/custom-property");
|
|
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|
-
exports.ValenceModelParams =
|
|
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|
+
exports.ValenceModelParams = tslib_1.__assign({}, valence_model_1.ValenceModelParams);
|
|
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|
exports.ValenceModelProvider = custom_structure_property_1.CustomStructureProperty.createProvider({
|
|
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|
label: 'Valence Model',
|
|
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|
descriptor: (0, custom_property_1.CustomPropertyDescriptor)({
|
|
@@ -22,13 +22,13 @@ exports.ValenceModelProvider = custom_structure_property_1.CustomStructureProper
|
|
|
22
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|
defaultParams: exports.ValenceModelParams,
|
|
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|
getParams: function (data) { return exports.ValenceModelParams; },
|
|
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|
isApplicable: function (data) { return true; },
|
|
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-
obtain: function (ctx, data, props) { return
|
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obtain: function (ctx, data, props) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
|
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|
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return
|
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return tslib_1.__generator(this, function (_b) {
|
|
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|
switch (_b.label) {
|
|
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|
case 0:
|
|
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p =
|
|
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|
+
p = tslib_1.__assign(tslib_1.__assign({}, param_definition_1.ParamDefinition.getDefaultValues(exports.ValenceModelParams)), props);
|
|
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|
_a = {};
|
|
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|
return [4 /*yield*/, (0, valence_model_1.calcValenceModel)(ctx.runtime, data, p)];
|
|
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|
case 1: return [2 /*return*/, (_a.value = _b.sent(), _a)];
|
|
@@ -27,8 +27,8 @@ exports.CrossLinkRestraintProvider = custom_structure_property_1.CustomStructure
|
|
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|
defaultParams: {},
|
|
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|
getParams: function (data) { return ({}); },
|
|
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|
isApplicable: function (data) { return data.models.some(function (m) { return !!format_1.ModelCrossLinkRestraint.Provider.get(m); }); },
|
|
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|
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obtain: function (ctx, data, props) { return
|
|
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-
return
|
|
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|
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obtain: function (ctx, data, props) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
|
|
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|
+
return tslib_1.__generator(this, function (_a) {
|
|
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|
return [2 /*return*/, { value: extractCrossLinkRestraints(data) }];
|
|
33
33
|
});
|
|
34
34
|
}); }
|
|
@@ -50,7 +50,7 @@ function createCrossLinkRestraintCylinderMesh(ctx, structure, theme, props, mesh
|
|
|
50
50
|
}
|
|
51
51
|
return m;
|
|
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|
}
|
|
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|
-
exports.CrossLinkRestraintCylinderParams =
|
|
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|
+
exports.CrossLinkRestraintCylinderParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, complex_visual_1.ComplexMeshParams), link_1.LinkCylinderParams), { sizeFactor: param_definition_1.ParamDefinition.Numeric(0.5, { min: 0, max: 10, step: 0.1 }) });
|
|
54
54
|
function CrossLinkRestraintVisual(materialId) {
|
|
55
55
|
return (0, complex_visual_1.ComplexMeshVisual)({
|
|
56
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|
defaultProps: param_definition_1.ParamDefinition.getDefaultValues(exports.CrossLinkRestraintCylinderParams),
|
|
@@ -109,7 +109,7 @@ function eachCrossLink(loci, structure, apply) {
|
|
|
109
109
|
var CrossLinkRestraintVisuals = {
|
|
110
110
|
'cross-link-restraint': function (ctx, getParams) { return (0, representation_2.ComplexRepresentation)('Cross-link restraint', ctx, getParams, CrossLinkRestraintVisual); },
|
|
111
111
|
};
|
|
112
|
-
exports.CrossLinkRestraintParams =
|
|
112
|
+
exports.CrossLinkRestraintParams = tslib_1.__assign({}, exports.CrossLinkRestraintCylinderParams);
|
|
113
113
|
function getCrossLinkRestraintParams(ctx, structure) {
|
|
114
114
|
return param_definition_1.ParamDefinition.clone(exports.CrossLinkRestraintParams);
|
|
115
115
|
}
|
|
@@ -22,8 +22,8 @@ var SIFTSMapping;
|
|
|
22
22
|
defaultParams: {},
|
|
23
23
|
getParams: function () { return ({}); },
|
|
24
24
|
isApplicable: function (data) { return isAvailable(data); },
|
|
25
|
-
obtain: function (ctx, data) { return
|
|
26
|
-
return
|
|
25
|
+
obtain: function (ctx, data) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
|
|
26
|
+
return tslib_1.__generator(this, function (_a) {
|
|
27
27
|
return [2 /*return*/, { value: fromCif(data) }];
|
|
28
28
|
});
|
|
29
29
|
}); }
|
|
@@ -16,7 +16,7 @@ var DefaultColor = (0, color_1.Color)(0xFAFAFA);
|
|
|
16
16
|
var Description = 'Assigns a color based on SIFTS mapping.';
|
|
17
17
|
// same colors for same accessions
|
|
18
18
|
var globalAccessionMap = new Map();
|
|
19
|
-
exports.SIFTSMappingColorThemeParams =
|
|
19
|
+
exports.SIFTSMappingColorThemeParams = tslib_1.__assign({}, (0, palette_1.getPaletteParams)({ type: 'colors', colorList: 'set-1' }));
|
|
20
20
|
function getSIFTSMappingColorThemeParams(ctx) {
|
|
21
21
|
return exports.SIFTSMappingColorThemeParams; // TODO return copy
|
|
22
22
|
}
|
|
@@ -83,9 +83,9 @@ exports.SIFTSMappingColorThemeProvider = {
|
|
|
83
83
|
defaultValues: param_definition_1.ParamDefinition.getDefaultValues(exports.SIFTSMappingColorThemeParams),
|
|
84
84
|
isApplicable: function (ctx) { var _a; return !!((_a = ctx.structure) === null || _a === void 0 ? void 0 : _a.models.some(function (m) { return sifts_mapping_1.SIFTSMapping.Provider.isApplicable(m); })); },
|
|
85
85
|
ensureCustomProperties: {
|
|
86
|
-
attach: function (ctx, data) { return
|
|
86
|
+
attach: function (ctx, data) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
|
|
87
87
|
var _i, _a, m;
|
|
88
|
-
return
|
|
88
|
+
return tslib_1.__generator(this, function (_b) {
|
|
89
89
|
switch (_b.label) {
|
|
90
90
|
case 0:
|
|
91
91
|
if (!data.structure)
|
|
@@ -30,8 +30,8 @@ var PluginAnimationLoop = /** @class */ (function () {
|
|
|
30
30
|
});
|
|
31
31
|
PluginAnimationLoop.prototype.tick = function (t, options) {
|
|
32
32
|
var _a;
|
|
33
|
-
return
|
|
34
|
-
return
|
|
33
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
34
|
+
return tslib_1.__generator(this, function (_b) {
|
|
35
35
|
switch (_b.label) {
|
|
36
36
|
case 0: return [4 /*yield*/, this.plugin.managers.animation.tick(t, options === null || options === void 0 ? void 0 : options.isSynchronous, options === null || options === void 0 ? void 0 : options.animation)];
|
|
37
37
|
case 1:
|
|
@@ -15,7 +15,7 @@ var mol_util_1 = require("../../mol-util");
|
|
|
15
15
|
var PluginBehavior;
|
|
16
16
|
(function (PluginBehavior) {
|
|
17
17
|
var Root = /** @class */ (function (_super) {
|
|
18
|
-
|
|
18
|
+
tslib_1.__extends(Root, _super);
|
|
19
19
|
function Root() {
|
|
20
20
|
return _super !== null && _super.apply(this, arguments) || this;
|
|
21
21
|
}
|
|
@@ -23,7 +23,7 @@ var PluginBehavior;
|
|
|
23
23
|
}(objects_1.PluginStateObject.Create({ name: 'Root', typeClass: 'Root' })));
|
|
24
24
|
PluginBehavior.Root = Root;
|
|
25
25
|
var Category = /** @class */ (function (_super) {
|
|
26
|
-
|
|
26
|
+
tslib_1.__extends(Category, _super);
|
|
27
27
|
function Category() {
|
|
28
28
|
return _super !== null && _super.apply(this, arguments) || this;
|
|
29
29
|
}
|
|
@@ -31,7 +31,7 @@ var PluginBehavior;
|
|
|
31
31
|
}(objects_1.PluginStateObject.Create({ name: 'Category', typeClass: 'Object' })));
|
|
32
32
|
PluginBehavior.Category = Category;
|
|
33
33
|
var Behavior = /** @class */ (function (_super) {
|
|
34
|
-
|
|
34
|
+
tslib_1.__extends(Behavior, _super);
|
|
35
35
|
function Behavior() {
|
|
36
36
|
return _super !== null && _super.apply(this, arguments) || this;
|
|
37
37
|
}
|
|
@@ -79,9 +79,9 @@ var PluginBehavior;
|
|
|
79
79
|
update: function (_a) {
|
|
80
80
|
var _this = this;
|
|
81
81
|
var b = _a.b, newParams = _a.newParams;
|
|
82
|
-
return mol_task_1.Task.create('Update Behavior', function () { return
|
|
82
|
+
return mol_task_1.Task.create('Update Behavior', function () { return tslib_1.__awaiter(_this, void 0, void 0, function () {
|
|
83
83
|
var updated;
|
|
84
|
-
return
|
|
84
|
+
return tslib_1.__generator(this, function (_a) {
|
|
85
85
|
switch (_a.label) {
|
|
86
86
|
case 0:
|
|
87
87
|
if (!b.data.update)
|
|
@@ -40,7 +40,7 @@ exports.FocusLoci = behavior_1.PluginBehavior.create({
|
|
|
40
40
|
name: 'camera-focus-loci',
|
|
41
41
|
category: 'interaction',
|
|
42
42
|
ctor: /** @class */ (function (_super) {
|
|
43
|
-
|
|
43
|
+
tslib_1.__extends(class_1, _super);
|
|
44
44
|
function class_1() {
|
|
45
45
|
return _super !== null && _super.apply(this, arguments) || this;
|
|
46
46
|
}
|
|
@@ -72,7 +72,7 @@ exports.CameraAxisHelper = behavior_1.PluginBehavior.create({
|
|
|
72
72
|
name: 'camera-axis-helper',
|
|
73
73
|
category: 'interaction',
|
|
74
74
|
ctor: /** @class */ (function (_super) {
|
|
75
|
-
|
|
75
|
+
tslib_1.__extends(class_2, _super);
|
|
76
76
|
function class_2() {
|
|
77
77
|
return _super !== null && _super.apply(this, arguments) || this;
|
|
78
78
|
}
|
package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props/computed/accessible-surface-area.js
CHANGED
|
@@ -21,7 +21,7 @@ exports.AccessibleSurfaceArea = behavior_1.PluginBehavior.create({
|
|
|
21
21
|
category: 'custom-props',
|
|
22
22
|
display: { name: 'Accessible Surface Area' },
|
|
23
23
|
ctor: /** @class */ (function (_super) {
|
|
24
|
-
|
|
24
|
+
tslib_1.__extends(class_1, _super);
|
|
25
25
|
function class_1() {
|
|
26
26
|
var _this = _super !== null && _super.apply(this, arguments) || this;
|
|
27
27
|
_this.provider = accessible_surface_area_1.AccessibleSurfaceAreaProvider;
|
|
@@ -23,7 +23,7 @@ exports.Interactions = behavior_1.PluginBehavior.create({
|
|
|
23
23
|
category: 'custom-props',
|
|
24
24
|
display: { name: 'Interactions' },
|
|
25
25
|
ctor: /** @class */ (function (_super) {
|
|
26
|
-
|
|
26
|
+
tslib_1.__extends(class_1, _super);
|
|
27
27
|
function class_1() {
|
|
28
28
|
var _this = _super !== null && _super.apply(this, arguments) || this;
|
|
29
29
|
_this.provider = interactions_1.InteractionsProvider;
|
package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props/computed/secondary-structure.js
CHANGED
|
@@ -15,7 +15,7 @@ exports.SecondaryStructure = behavior_1.PluginBehavior.create({
|
|
|
15
15
|
category: 'custom-props',
|
|
16
16
|
display: { name: 'Secondary Structure' },
|
|
17
17
|
ctor: /** @class */ (function (_super) {
|
|
18
|
-
|
|
18
|
+
tslib_1.__extends(class_1, _super);
|
|
19
19
|
function class_1() {
|
|
20
20
|
var _this = _super !== null && _super.apply(this, arguments) || this;
|
|
21
21
|
_this.provider = secondary_structure_1.SecondaryStructureProvider;
|
|
@@ -21,7 +21,7 @@ exports.ValenceModel = behavior_1.PluginBehavior.create({
|
|
|
21
21
|
category: 'custom-props',
|
|
22
22
|
display: { name: 'Valence Model' },
|
|
23
23
|
ctor: /** @class */ (function (_super) {
|
|
24
|
-
|
|
24
|
+
tslib_1.__extends(class_1, _super);
|
|
25
25
|
function class_1() {
|
|
26
26
|
var _this = _super !== null && _super.apply(this, arguments) || this;
|
|
27
27
|
_this.provider = valence_model_1.ValenceModelProvider;
|
package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props/integrative/cross-link-restraint.js
CHANGED
|
@@ -17,7 +17,7 @@ exports.CrossLinkRestraint = behavior_1.PluginBehavior.create({
|
|
|
17
17
|
category: 'custom-props',
|
|
18
18
|
display: { name: 'Cross Link Restraint' },
|
|
19
19
|
ctor: /** @class */ (function (_super) {
|
|
20
|
-
|
|
20
|
+
tslib_1.__extends(class_1, _super);
|
|
21
21
|
function class_1() {
|
|
22
22
|
var _this = _super !== null && _super.apply(this, arguments) || this;
|
|
23
23
|
_this.provider = format_1.ModelCrossLinkRestraint.Provider;
|
|
@@ -18,7 +18,7 @@ exports.SIFTSMapping = behavior_1.PluginBehavior.create({
|
|
|
18
18
|
category: 'custom-props',
|
|
19
19
|
display: { name: 'SIFTS Mapping' },
|
|
20
20
|
ctor: /** @class */ (function (_super) {
|
|
21
|
-
|
|
21
|
+
tslib_1.__extends(class_1, _super);
|
|
22
22
|
function class_1() {
|
|
23
23
|
var _this = _super !== null && _super.apply(this, arguments) || this;
|
|
24
24
|
_this.provider = sifts_mapping_1.SIFTSMapping.Provider;
|
|
@@ -16,7 +16,7 @@ exports.StructureInfo = behavior_1.PluginBehavior.create({
|
|
|
16
16
|
category: 'custom-props',
|
|
17
17
|
display: { name: 'Structure Info' },
|
|
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
|
}
|
|
@@ -83,7 +83,7 @@ exports.StructureInfo = behavior_1.PluginBehavior.create({
|
|
|
83
83
|
}
|
|
84
84
|
if (structure_1.Model.AsymIdOffset.get(model).value === undefined) {
|
|
85
85
|
var oldOffset = oldModel && structure_1.Model.AsymIdOffset.get(oldModel).value;
|
|
86
|
-
var value = oldOffset !== null && oldOffset !== void 0 ? oldOffset :
|
|
86
|
+
var value = oldOffset !== null && oldOffset !== void 0 ? oldOffset : tslib_1.__assign({}, this.asymIdOffset);
|
|
87
87
|
structure_1.Model.AsymIdOffset.set(model, { value: value });
|
|
88
88
|
}
|
|
89
89
|
};
|
|
@@ -38,7 +38,7 @@ exports.HighlightLoci = behavior_1.PluginBehavior.create({
|
|
|
38
38
|
name: 'representation-highlight-loci',
|
|
39
39
|
category: 'interaction',
|
|
40
40
|
ctor: /** @class */ (function (_super) {
|
|
41
|
-
|
|
41
|
+
tslib_1.__extends(class_1, _super);
|
|
42
42
|
function class_1() {
|
|
43
43
|
var _this = _super !== null && _super.apply(this, arguments) || this;
|
|
44
44
|
_this.lociMarkProvider = function (interactionLoci, action) {
|
|
@@ -108,7 +108,7 @@ exports.SelectLoci = behavior_1.PluginBehavior.create({
|
|
|
108
108
|
name: 'representation-select-loci',
|
|
109
109
|
category: 'interaction',
|
|
110
110
|
ctor: /** @class */ (function (_super) {
|
|
111
|
-
|
|
111
|
+
tslib_1.__extends(class_2, _super);
|
|
112
112
|
function class_2(ctx, params) {
|
|
113
113
|
var _this = _super.call(this, ctx, params) || this;
|
|
114
114
|
_this.lociMarkProvider = function (reprLoci, action) {
|
|
@@ -262,7 +262,7 @@ exports.FocusLoci = behavior_1.PluginBehavior.create({
|
|
|
262
262
|
name: 'representation-focus-loci',
|
|
263
263
|
category: 'interaction',
|
|
264
264
|
ctor: /** @class */ (function (_super) {
|
|
265
|
-
|
|
265
|
+
tslib_1.__extends(class_4, _super);
|
|
266
266
|
function class_4() {
|
|
267
267
|
return _super !== null && _super.apply(this, arguments) || this;
|
|
268
268
|
}
|
package/lib/commonjs/mol-plugin/behavior/dynamic/selection/structure-focus-representation.js
CHANGED
|
@@ -68,7 +68,7 @@ var StructureFocusRepresentationTags;
|
|
|
68
68
|
})(StructureFocusRepresentationTags = exports.StructureFocusRepresentationTags || (exports.StructureFocusRepresentationTags = {}));
|
|
69
69
|
var TagSet = new Set([StructureFocusRepresentationTags.TargetSel, StructureFocusRepresentationTags.TargetRepr, StructureFocusRepresentationTags.SurrSel, StructureFocusRepresentationTags.SurrRepr, StructureFocusRepresentationTags.SurrNciRepr]);
|
|
70
70
|
var StructureFocusRepresentationBehavior = /** @class */ (function (_super) {
|
|
71
|
-
|
|
71
|
+
tslib_1.__extends(StructureFocusRepresentationBehavior, _super);
|
|
72
72
|
function StructureFocusRepresentationBehavior() {
|
|
73
73
|
var _this = _super !== null && _super.apply(this, arguments) || this;
|
|
74
74
|
_this.currentSource = void 0;
|
|
@@ -80,9 +80,9 @@ var StructureFocusRepresentationBehavior = /** @class */ (function (_super) {
|
|
|
80
80
|
configurable: true
|
|
81
81
|
});
|
|
82
82
|
StructureFocusRepresentationBehavior.prototype.getReprParams = function (reprParams) {
|
|
83
|
-
return
|
|
83
|
+
return tslib_1.__assign(tslib_1.__assign({}, reprParams), { type: {
|
|
84
84
|
name: reprParams.type.name,
|
|
85
|
-
params:
|
|
85
|
+
params: tslib_1.__assign(tslib_1.__assign({}, reprParams.type.params), { ignoreHydrogens: this.params.ignoreHydrogens, ignoreLight: this.params.ignoreLight, material: this.params.material, clip: this.params.clip })
|
|
86
86
|
} });
|
|
87
87
|
};
|
|
88
88
|
StructureFocusRepresentationBehavior.prototype.ensureShape = function (cell) {
|
|
@@ -131,20 +131,20 @@ var StructureFocusRepresentationBehavior = /** @class */ (function (_super) {
|
|
|
131
131
|
var bundle = structure_1.StructureElement.Bundle.Empty;
|
|
132
132
|
for (var _i = 0, foci_1 = foci; _i < foci_1.length; _i++) {
|
|
133
133
|
var f = foci_1[_i];
|
|
134
|
-
update.to(f).update(transforms_1.StateTransforms.Model.StructureSelectionFromBundle, function (old) { return (
|
|
134
|
+
update.to(f).update(transforms_1.StateTransforms.Model.StructureSelectionFromBundle, function (old) { return (tslib_1.__assign(tslib_1.__assign({}, old), { bundle: bundle })); });
|
|
135
135
|
}
|
|
136
136
|
var expression = builder_1.MolScriptBuilder.struct.generator.empty();
|
|
137
137
|
for (var _a = 0, surrs_1 = surrs; _a < surrs_1.length; _a++) {
|
|
138
138
|
var s = surrs_1[_a];
|
|
139
|
-
update.to(s).update(transforms_1.StateTransforms.Model.StructureSelectionFromExpression, function (old) { return (
|
|
139
|
+
update.to(s).update(transforms_1.StateTransforms.Model.StructureSelectionFromExpression, function (old) { return (tslib_1.__assign(tslib_1.__assign({}, old), { expression: expression })); });
|
|
140
140
|
}
|
|
141
141
|
return commands_1.PluginCommands.State.Update(this.plugin, { state: state, tree: update, options: { doNotLogTiming: true, doNotUpdateCurrent: true } });
|
|
142
142
|
};
|
|
143
143
|
StructureFocusRepresentationBehavior.prototype.focus = function (sourceLoci) {
|
|
144
|
-
return
|
|
144
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
145
145
|
var parent, loci, residueLoci, residueBundle, target, surroundings, _a, state, builder, refs;
|
|
146
146
|
var _this = this;
|
|
147
|
-
return
|
|
147
|
+
return tslib_1.__generator(this, function (_b) {
|
|
148
148
|
switch (_b.label) {
|
|
149
149
|
case 0:
|
|
150
150
|
parent = this.plugin.helpers.substructureParent.get(sourceLoci.structure);
|
|
@@ -167,8 +167,8 @@ var StructureFocusRepresentationBehavior = /** @class */ (function (_super) {
|
|
|
167
167
|
});
|
|
168
168
|
}
|
|
169
169
|
_a = this.ensureShape(parent), state = _a.state, builder = _a.builder, refs = _a.refs;
|
|
170
|
-
builder.to(refs[StructureFocusRepresentationTags.TargetSel]).update(transforms_1.StateTransforms.Model.StructureSelectionFromBundle, function (old) { return (
|
|
171
|
-
builder.to(refs[StructureFocusRepresentationTags.SurrSel]).update(transforms_1.StateTransforms.Model.StructureSelectionFromExpression, function (old) { return (
|
|
170
|
+
builder.to(refs[StructureFocusRepresentationTags.TargetSel]).update(transforms_1.StateTransforms.Model.StructureSelectionFromBundle, function (old) { return (tslib_1.__assign(tslib_1.__assign({}, old), { bundle: residueBundle })); });
|
|
171
|
+
builder.to(refs[StructureFocusRepresentationTags.SurrSel]).update(transforms_1.StateTransforms.Model.StructureSelectionFromExpression, function (old) { return (tslib_1.__assign(tslib_1.__assign({}, old), { expression: surroundings, label: _this.surrLabel })); });
|
|
172
172
|
return [4 /*yield*/, commands_1.PluginCommands.State.Update(this.plugin, { state: state, tree: builder, options: { doNotLogTiming: true, doNotUpdateCurrent: true } })];
|
|
173
173
|
case 1:
|
|
174
174
|
_b.sent();
|
|
@@ -187,9 +187,9 @@ var StructureFocusRepresentationBehavior = /** @class */ (function (_super) {
|
|
|
187
187
|
});
|
|
188
188
|
};
|
|
189
189
|
StructureFocusRepresentationBehavior.prototype.update = function (params) {
|
|
190
|
-
return
|
|
190
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
191
191
|
var old, state, builder, all, components, hasComponent, _i, _a, repr, _b, _c, repr, _d, _e, repr;
|
|
192
|
-
return
|
|
192
|
+
return tslib_1.__generator(this, function (_f) {
|
|
193
193
|
switch (_f.label) {
|
|
194
194
|
case 0:
|
|
195
195
|
old = this.params;
|
|
@@ -26,7 +26,7 @@ var loci_1 = require("../../../../mol-model/loci");
|
|
|
26
26
|
var assets_1 = require("../../../../mol-util/assets");
|
|
27
27
|
var global_transform_1 = require("../../../../mol-model/structure/model/properties/global-transform");
|
|
28
28
|
var VolumeStreaming = /** @class */ (function (_super) {
|
|
29
|
-
|
|
29
|
+
tslib_1.__extends(VolumeStreaming, _super);
|
|
30
30
|
function VolumeStreaming() {
|
|
31
31
|
return _super !== null && _super.apply(this, arguments) || this;
|
|
32
32
|
}
|
|
@@ -107,7 +107,7 @@ exports.VolumeStreaming = VolumeStreaming;
|
|
|
107
107
|
VolumeStreaming.ViewTypeOptions = [['off', 'Off'], ['box', 'Bounded Box'], ['selection-box', 'Around Focus'], ['cell', 'Whole Structure'], ['auto', 'Auto']];
|
|
108
108
|
VolumeStreaming.ChannelTypeOptions = [['em', 'em'], ['2fo-fc', '2fo-fc'], ['fo-fc(+ve)', 'fo-fc(+ve)'], ['fo-fc(-ve)', 'fo-fc(-ve)']];
|
|
109
109
|
var Behavior = /** @class */ (function (_super) {
|
|
110
|
-
|
|
110
|
+
tslib_1.__extends(Behavior, _super);
|
|
111
111
|
function Behavior(plugin, data) {
|
|
112
112
|
var _this = _super.call(this, plugin, {}) || this;
|
|
113
113
|
_this.plugin = plugin;
|
|
@@ -130,9 +130,9 @@ exports.VolumeStreaming = VolumeStreaming;
|
|
|
130
130
|
configurable: true
|
|
131
131
|
});
|
|
132
132
|
Behavior.prototype.queryData = function (box) {
|
|
133
|
-
return
|
|
133
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
134
134
|
var url, a, b, detail, entry, urlAsset, asset, data, removed;
|
|
135
|
-
return
|
|
135
|
+
return tslib_1.__generator(this, function (_a) {
|
|
136
136
|
switch (_a.label) {
|
|
137
137
|
case 0:
|
|
138
138
|
url = (0, url_1.urlCombine)(this.data.serverUrl, "".concat(this.info.kind, "/").concat(this.info.dataId.toLowerCase()));
|
|
@@ -171,9 +171,9 @@ exports.VolumeStreaming = VolumeStreaming;
|
|
|
171
171
|
});
|
|
172
172
|
};
|
|
173
173
|
Behavior.prototype.parseCif = function (data) {
|
|
174
|
-
return
|
|
174
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
175
175
|
var parsed, ret, i, block, densityServerCif, volume;
|
|
176
|
-
return
|
|
176
|
+
return tslib_1.__generator(this, function (_a) {
|
|
177
177
|
switch (_a.label) {
|
|
178
178
|
case 0: return [4 /*yield*/, this.plugin.runTask(cif_1.CIF.parseBinary(data))];
|
|
179
179
|
case 1:
|
|
@@ -210,9 +210,9 @@ exports.VolumeStreaming = VolumeStreaming;
|
|
|
210
210
|
if (this.params.entry.params.view.name !== 'selection-box')
|
|
211
211
|
return;
|
|
212
212
|
var state = this.plugin.state.data;
|
|
213
|
-
var newParams =
|
|
213
|
+
var newParams = tslib_1.__assign(tslib_1.__assign({}, this.params), { entry: {
|
|
214
214
|
name: this.params.entry.name,
|
|
215
|
-
params:
|
|
215
|
+
params: tslib_1.__assign(tslib_1.__assign({}, this.params.entry.params), { view: {
|
|
216
216
|
name: 'selection-box',
|
|
217
217
|
params: {
|
|
218
218
|
radius: this.params.entry.params.view.params.radius,
|
|
@@ -228,9 +228,9 @@ exports.VolumeStreaming = VolumeStreaming;
|
|
|
228
228
|
if (this.params.entry.params.view.name !== 'auto')
|
|
229
229
|
return;
|
|
230
230
|
var state = this.plugin.state.data;
|
|
231
|
-
var newParams =
|
|
231
|
+
var newParams = tslib_1.__assign(tslib_1.__assign({}, this.params), { entry: {
|
|
232
232
|
name: this.params.entry.name,
|
|
233
|
-
params:
|
|
233
|
+
params: tslib_1.__assign(tslib_1.__assign({}, this.params.entry.params), { view: {
|
|
234
234
|
name: 'auto',
|
|
235
235
|
params: {
|
|
236
236
|
radius: this.params.entry.params.view.params.radius,
|
|
@@ -338,9 +338,9 @@ exports.VolumeStreaming = VolumeStreaming;
|
|
|
338
338
|
this.updateSelectionBoxParams(box);
|
|
339
339
|
};
|
|
340
340
|
Behavior.prototype.update = function (params) {
|
|
341
|
-
return
|
|
341
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
342
342
|
var switchedToSelection, box, emptyData, r, r, data, _a, info;
|
|
343
|
-
return
|
|
343
|
+
return tslib_1.__generator(this, function (_b) {
|
|
344
344
|
switch (_b.label) {
|
|
345
345
|
case 0:
|
|
346
346
|
switchedToSelection = params.entry.params.view.name === 'selection-box' && this.params && this.params.entry && this.params.entry.params && this.params.entry.params.view && this.params.entry.params.view.name !== 'selection-box';
|
|
@@ -10,7 +10,7 @@ exports.VolumeServerHeader = exports.VolumeServerInfo = void 0;
|
|
|
10
10
|
var tslib_1 = require("tslib");
|
|
11
11
|
var objects_1 = require("../../../../mol-plugin-state/objects");
|
|
12
12
|
var VolumeServerInfo = /** @class */ (function (_super) {
|
|
13
|
-
|
|
13
|
+
tslib_1.__extends(VolumeServerInfo, _super);
|
|
14
14
|
function VolumeServerInfo() {
|
|
15
15
|
return _super !== null && _super.apply(this, arguments) || this;
|
|
16
16
|
}
|