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
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- 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
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- package/lib/mol-model-formats/structure/util.js +19 -20
- package/lib/mol-model-formats/structure/xyz.js +2 -2
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- package/lib/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js +10 -5
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- 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
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- package/lib/mol-plugin-state/formats/registry.js +13 -8
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- package/lib/mol-plugin-state/objects.d.ts +47 -1
- package/lib/mol-plugin-state/objects.js +17 -1
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- 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
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- package/lib/mol-plugin-ui/state/animation.js +1 -1
- package/lib/mol-plugin-ui/state/common.js +7 -7
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- package/lib/mol-plugin-ui/state/tree.js +14 -14
- package/lib/mol-plugin-ui/state/update-transform.js +1 -1
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- 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
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- 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
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- package/lib/mol-repr/structure/visual/bond-inter-unit-cylinder.js +20 -10
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- package/lib/mol-repr/structure/visual/bond-inter-unit-line.js +10 -5
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- package/lib/mol-task/util/scheduler.js +7 -7
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- 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
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@@ -17,15 +17,15 @@ var parameters_1 = require("../../mol-plugin-ui/controls/parameters");
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var download_1 = require("../../mol-util/download");
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var controls_1 = require("./controls");
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var Mp4EncoderUI = /** @class */ (function (_super) {
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tslib_1.__extends(Mp4EncoderUI, _super);
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function Mp4EncoderUI() {
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var _this = _super !== null && _super.apply(this, arguments) || this;
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_this.save = function () {
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(0, download_1.download)(new Blob([_this.state.data.movie]), _this.state.data.filename);
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};
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_this.generate = function () { return
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_this.generate = function () { return tslib_1.__awaiter(_this, void 0, void 0, function () {
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};
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Mp4EncoderUI.prototype.downloadControls = function () {
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var _this = this;
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return (0, jsx_runtime_1.jsxs)(jsx_runtime_1.Fragment, { children: [(0, jsx_runtime_1.jsx)("div",
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return (0, jsx_runtime_1.jsxs)(jsx_runtime_1.Fragment, { children: [(0, jsx_runtime_1.jsx)("div", tslib_1.__assign({ className: 'msp-control-offset msp-help-text' }, { children: (0, jsx_runtime_1.jsx)("div", tslib_1.__assign({ className: 'msp-help-description', style: { textAlign: 'center' } }, { children: "Rendering successful!" })) })), (0, jsx_runtime_1.jsx)(common_1.Button, tslib_1.__assign({ icon: icons_1.GetAppSvg, onClick: this.save, style: { marginTop: 1 } }, { children: "Save Animation" })), (0, jsx_runtime_1.jsx)(common_1.Button, tslib_1.__assign({ onClick: function () { return _this.setState({ data: void 0 }); }, style: { marginTop: 6 } }, { children: "Clear" }))] });
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};
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Mp4EncoderUI.prototype.renderControls = function () {
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var _a;
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var current = ctrl.behaviors.current.value;
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var info = ctrl.behaviors.info.value;
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var canApply = ctrl.behaviors.canApply.value;
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return (0, jsx_runtime_1.jsxs)(jsx_runtime_1.Fragment, { children: [(0, jsx_runtime_1.jsx)(parameters_1.ParameterControls, { params: ctrl.behaviors.animations.value, values: { current: current === null || current === void 0 ? void 0 : current.anim.name }, onChangeValues: function (xs) { return ctrl.setCurrent(xs.current); }, isDisabled: this.state.busy }
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return (0, jsx_runtime_1.jsxs)(jsx_runtime_1.Fragment, { children: [(0, jsx_runtime_1.jsx)(parameters_1.ParameterControls, { params: ctrl.behaviors.animations.value, values: { current: current === null || current === void 0 ? void 0 : current.anim.name }, onChangeValues: function (xs) { return ctrl.setCurrent(xs.current); }, isDisabled: this.state.busy }), current && (0, jsx_runtime_1.jsx)(parameters_1.ParameterControls, { params: current.params, values: current.values, onChangeValues: function (xs) { return ctrl.setCurrentParams(xs); }, isDisabled: this.state.busy }), (0, jsx_runtime_1.jsx)("div", tslib_1.__assign({ className: 'msp-control-offset msp-help-text' }, { children: (0, jsx_runtime_1.jsxs)("div", tslib_1.__assign({ className: 'msp-help-description', style: { textAlign: 'center' } }, { children: ["Resolution: ", info.width, "x", info.height, (0, jsx_runtime_1.jsx)("br", {}), "Adjust in viewport using ", (0, jsx_runtime_1.jsx)(icons_1.Icon, { svg: icons_1.CameraOutlinedSvg, inline: true })] })) })), (0, jsx_runtime_1.jsx)(parameters_1.ParameterControls, { params: controls_1.Mp4AnimationParams, 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({ onClick: this.generate, style: { marginTop: 1 }, disabled: this.state.busy || !canApply.canApply, commit: canApply.canApply ? 'on' : 'off' }, { children: canApply.canApply ? 'Render' : (_a = canApply.reason) !== null && _a !== void 0 ? _a : 'Invalid params/state' }))] });
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};
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Mp4EncoderUI.prototype.componentDidMount = function () {
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@@ -54,9 +54,9 @@ var PDBePreferredAssembly;
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return (0, schema_1.toTable)(PDBePreferredAssembly.Schema.pdbe_preferred_assembly, cat).assembly_id.value(0) || getFirstFromModel(model);
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}
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function attachFromCifOrApi(model, params) {
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return tslib_1.__awaiter(this, void 0, void 0, function () {
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return tslib_1.__generator(this, function (_a) {
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if (model.customProperties.has(PDBePreferredAssembly.Descriptor))
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return (0, schema_1.toTable)(PDBeStructRefDomain.Schema.pdbe_struct_ref_domain, cat);
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if (model.customProperties.has(PDBeStructRefDomain.Descriptor))
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@@ -21,7 +21,7 @@ exports.PDBeStructureQualityReport = behavior_1.PluginBehavior.create({
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description: 'Data from wwPDB Validation Report, obtained via PDBe.'
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},
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ctor: /** @class */ (function (_super) {
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tslib_1.__extends(class_1, _super);
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function class_1() {
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var _this = _super !== null && _super.apply(this, arguments) || this;
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_this.provider = prop_1.StructureQualityReportProvider;
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pdbe_structure_quality_report: {
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updated_datetime_utc: db_1.Column.Schema.str
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},
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pdbe_structure_quality_report_issues:
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pdbe_structure_quality_report_issues: tslib_1.__assign(tslib_1.__assign({ id: db_1.Column.Schema.int }, mmcif_extras_1.mmCIF_residueId_schema), { pdbx_PDB_model_num: db_1.Column.Schema.int, issue_type_group_id: db_1.Column.Schema.int }),
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pdbe_structure_quality_report_issue_types: {
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group_id: db_1.Column.Schema.int,
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issue_type: db_1.Column.Schema.str
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}
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StructureQualityReport.fromJson = fromJson;
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function fromServer(ctx, model, props) {
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return tslib_1.__awaiter(this, void 0, void 0, function () {
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var url, json, data;
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url = assets_1.Asset.getUrlAsset(ctx.assetManager, getEntryUrl(model.entryId, props.serverUrl));
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}
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StructureQualityReport.fromCif = fromCif;
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cif = fromCif(ctx, model, props);
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return [2 /*return*/, cif ? { value: cif } : fromServer(ctx, model, props)];
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});
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defaultParams: exports.StructureQualityReportParams,
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getParams: function (data) { return exports.StructureQualityReportParams; },
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isApplicable: function (data) { return StructureQualityReport.isApplicable(data); },
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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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p =
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p = tslib_1.__assign(tslib_1.__assign({}, param_definition_1.ParamDefinition.getDefaultValues(exports.StructureQualityReportParams)), props);
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return [4 /*yield*/, StructureQualityReport.fromCifOrServer(ctx, data, p)];
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case 1: return [2 /*return*/, _a.sent()];
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}
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description: 'Assembly Symmetry data calculated with BioJava, obtained via RCSB PDB.'
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},
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tslib_1.__extends(class_1, _super);
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function class_1() {
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_this.provider = prop_1.AssemblySymmetryProvider;
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isApplicable: function (a) { return prop_1.AssemblySymmetry.isApplicable(a.data); }
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})(function (_a, plugin) {
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return mol_task_1.Task.create('Init Assembly Symmetry', function (ctx) { return
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return mol_task_1.Task.create('Init Assembly Symmetry', function (ctx) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
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var propCtx, assemblySymmetryData, symmetryIndex, e_1, tree;
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_a.trys.push([0, 3, , 4]);
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from: objects_1.PluginStateObject.Molecule.Structure,
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params: function (a) {
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return tslib_1.__assign({}, representation_1.AssemblySymmetryParams);
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})({
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var a = _a.a, params = _a.params;
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return mol_task_1.Task.create('Assembly Symmetry', function (ctx) { return
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return mol_task_1.Task.create('Assembly Symmetry', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
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return tslib_1.__generator(this, function (_b) {
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case 0: return [4 /*yield*/, prop_1.AssemblySymmetryProvider.attach({ runtime: ctx, assetManager: plugin.managers.asset }, a.data)];
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@@ -142,7 +142,7 @@ var AssemblySymmetry3D = objects_1.PluginStateTransform.BuiltIn({
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if (!assemblySymmetry || assemblySymmetry.symbol === 'C1') {
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return [2 /*return*/, mol_state_1.StateObject.Null];
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}
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repr = (0, representation_1.AssemblySymmetryRepresentation)(
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repr = (0, representation_1.AssemblySymmetryRepresentation)(tslib_1.__assign({ webgl: (_a = plugin.canvas3d) === null || _a === void 0 ? void 0 : _a.webgl }, plugin.representation.structure.themes), function () { return representation_1.AssemblySymmetryParams; });
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return [4 /*yield*/, repr.createOrUpdate(params, a.data).runInContext(ctx)];
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update: function (_a, plugin) {
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var a = _a.a, b = _a.b, newParams = _a.newParams;
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return mol_task_1.Task.create('Assembly Symmetry', function (ctx) { return
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return mol_task_1.Task.create('Assembly Symmetry', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
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case 0: return [4 /*yield*/, prop_1.AssemblySymmetryProvider.attach({ runtime: ctx, assetManager: plugin.managers.asset }, a.data)];
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@@ -168,7 +168,7 @@ var AssemblySymmetry3D = objects_1.PluginStateTransform.BuiltIn({
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// because that keeps the old object
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return [2 /*return*/, mol_state_1.StateTransformer.UpdateResult.Recreate];
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props =
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props = tslib_1.__assign(tslib_1.__assign({}, b.data.repr.props), newParams);
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return [4 /*yield*/, b.data.repr.createOrUpdate(props, a.data).runInContext(ctx)];
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_a.sent();
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});
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exports.AssemblySymmetry3D = AssemblySymmetry3D;
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//
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exports.AssemblySymmetryPresetParams =
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exports.AssemblySymmetryPresetParams = tslib_1.__assign({}, representation_preset_1.StructureRepresentationPresetProvider.CommonParams);
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exports.AssemblySymmetryPreset = (0, representation_preset_1.StructureRepresentationPresetProvider)({
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id: 'preset-structure-representation-rcsb-assembly-symmetry',
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display: {
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@@ -200,10 +200,10 @@ exports.AssemblySymmetryPreset = (0, representation_preset_1.StructureRepresenta
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params: function () { return exports.AssemblySymmetryPresetParams; },
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apply: function (ref, params, plugin) {
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return
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return tslib_1.__awaiter(this, void 0, void 0, function () {
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var structureCell, structure, assemblySymmetry, colorTheme, preset;
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return
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return tslib_1.__generator(this, function (_b) {
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case 0:
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structureCell = mol_state_1.StateObjectRef.resolveAndCheck(plugin.state.data, ref);
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@@ -211,9 +211,9 @@ exports.AssemblySymmetryPreset = (0, representation_preset_1.StructureRepresenta
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if (!structureCell || !structure)
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return [2 /*return*/, {}];
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if (!!prop_1.AssemblySymmetryDataProvider.get(structure).value) return [3 /*break*/, 2];
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return [4 /*yield*/, plugin.runTask(mol_task_1.Task.create('Assembly Symmetry', function (runtime) { return
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return [4 /*yield*/, plugin.runTask(mol_task_1.Task.create('Assembly Symmetry', function (runtime) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
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var propCtx, assemblySymmetryData, symmetryIndex;
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return
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return tslib_1.__generator(this, function (_a) {
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switch (_a.label) {
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case 0:
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propCtx = { runtime: runtime, assetManager: plugin.managers.asset };
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@@ -236,10 +236,10 @@ exports.AssemblySymmetryPreset = (0, representation_preset_1.StructureRepresenta
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case 3:
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assemblySymmetry = _b.sent();
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colorTheme = assemblySymmetry.isOk ? Tag.Cluster : undefined;
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return [4 /*yield*/, representation_preset_1.PresetStructureRepresentations.auto.apply(ref,
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return [4 /*yield*/, representation_preset_1.PresetStructureRepresentations.auto.apply(ref, tslib_1.__assign(tslib_1.__assign({}, params), { theme: { globalName: colorTheme, focus: { name: colorTheme } } }), plugin)];
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case 4:
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preset = _b.sent();
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return [2 /*return*/, { components: preset.components, representations:
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? { description: 'Color axes by their order', legend: OrderColorsLegend }
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var CageParams =
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'cage': function (ctx, getParams) { return (0, representation_1.ShapeRepresentation)(getCageShape, mesh_1.Mesh.Utils, { modifyState: function (s) { return (tslib_1.__assign(tslib_1.__assign({}, s), { markerActions: marker_action_1.MarkerActions.Highlighting })); } }); },
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'axes': function (ctx, getParams) { return (0, representation_1.ShapeRepresentation)(getAxesShape, mesh_1.Mesh.Utils, { modifyState: function (s) { return (tslib_1.__assign(tslib_1.__assign({}, s), { markerActions: marker_action_1.MarkerActions.Highlighting })); } }); },
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@@ -20,7 +20,7 @@ var objects_1 = require("../../../mol-plugin-state/objects");
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|
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+
tslib_1.__extends(AssemblySymmetryControls, _super);
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|
|
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return (0, jsx_runtime_1.jsx)(apply_action_1.ApplyActionControl, { state: pivot.cell.parent, action: EnableAssemblySymmetry3D, initiallyCollapsed: true, nodeRef: pivot.cell.transform.ref, simpleApply: { header: 'Enable', icon: icons_1.CheckSvg } }
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|
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return (0, jsx_runtime_1.jsx)(apply_action_1.ApplyActionControl, { state: pivot.cell.parent, action: EnableAssemblySymmetry3D, initiallyCollapsed: true, nodeRef: pivot.cell.transform.ref, simpleApply: { header: 'Enable', icon: icons_1.CheckSvg } });
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|
+
return (0, jsx_runtime_1.jsx)("div", tslib_1.__assign({ className: 'msp-row-text' }, { children: (0, jsx_runtime_1.jsx)("div", { children: "No Symmetries for Assembly" }) }));
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|
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|
|
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|
|
@@ -96,7 +96,7 @@ var AssemblySymmetryControls = /** @class */ (function (_super) {
|
|
|
96
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|
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|
|
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|
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|
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|
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|
+
return tslib_1.__assign(tslib_1.__assign({}, param_definition_1.ParamDefinition.getDefaultValues(prop_1.AssemblySymmetryProvider.defaultParams)), { symmetryIndex: -1 });
|
|
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}
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|
|
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enumerable: false,
|
|
@@ -104,9 +104,9 @@ var AssemblySymmetryControls = /** @class */ (function (_super) {
|
|
|
104
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|
});
|
|
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|
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|
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|
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|
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|
+
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|
|
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|
var s, currValues, b, pd, params, _i, _e, components, name_1;
|
|
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|
-
return
|
|
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|
+
return tslib_1.__generator(this, function (_f) {
|
|
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|
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|
|
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|
case 0:
|
|
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112
|
s = this.pivot;
|
|
@@ -183,7 +183,7 @@ var AssemblySymmetryControls = /** @class */ (function (_super) {
|
|
|
183
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|
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|
|
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|
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|
|
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185
|
AssemblySymmetryControls.prototype.renderParams = function () {
|
|
186
|
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return (0, jsx_runtime_1.jsx)(jsx_runtime_1.Fragment, { children: (0, jsx_runtime_1.jsx)(parameters_1.ParameterControls, { params: this.params, values: this.values, onChangeValues: this.paramsOnChange }
|
|
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|
+
return (0, jsx_runtime_1.jsx)(jsx_runtime_1.Fragment, { children: (0, jsx_runtime_1.jsx)(parameters_1.ParameterControls, { params: this.params, values: this.values, onChangeValues: this.paramsOnChange }) });
|
|
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|
|
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|
AssemblySymmetryControls.prototype.renderControls = function () {
|
|
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|
if (!this.pivot)
|
|
@@ -201,8 +201,8 @@ var EnableAssemblySymmetry3D = mol_state_1.StateAction.build({
|
|
|
201
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|
from: objects_1.PluginStateObject.Molecule.Structure,
|
|
202
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|
})(function (_a, plugin) {
|
|
203
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|
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|
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|
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return mol_task_1.Task.create('Enable Assembly Symmetry', function (ctx) { return
|
|
205
|
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return
|
|
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|
+
return mol_task_1.Task.create('Enable Assembly Symmetry', function (ctx) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
|
|
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|
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|
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|
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|
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|
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|
|
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|
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|
|
@@ -31,7 +31,7 @@ exports.RCSBValidationReport = behavior_1.PluginBehavior.create({
|
|
|
31
31
|
description: 'Data from wwPDB Validation Report, obtained via RCSB PDB.'
|
|
32
32
|
},
|
|
33
33
|
ctor: /** @class */ (function (_super) {
|
|
34
|
-
|
|
34
|
+
tslib_1.__extends(class_1, _super);
|
|
35
35
|
function class_1() {
|
|
36
36
|
var _this = _super !== null && _super.apply(this, arguments) || this;
|
|
37
37
|
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|
|
@@ -291,18 +291,18 @@ exports.ValidationReportGeometryQualityPreset = (0, representation_preset_1.Stru
|
|
|
291
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|
params: function () { return representation_preset_1.StructureRepresentationPresetProvider.CommonParams; },
|
|
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|
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|
|
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|
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|
|
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|
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return
|
|
294
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
295
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|
var structureCell, structure, colorTheme, _b, components, representations, clashes, _c, update, builder, typeParams, color, clashesBallAndStick, clashesRepr;
|
|
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|
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|
|
297
|
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return
|
|
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|
+
return tslib_1.__generator(this, function (_d) {
|
|
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|
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|
|
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|
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|
|
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|
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|
|
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|
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|
|
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|
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|
|
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|
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|
|
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|
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return [4 /*yield*/, plugin.runTask(mol_task_1.Task.create('Validation Report', function (runtime) { return
|
|
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|
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return
|
|
304
|
+
return [4 /*yield*/, plugin.runTask(mol_task_1.Task.create('Validation Report', function (runtime) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
|
|
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|
+
return tslib_1.__generator(this, function (_a) {
|
|
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|
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|
|
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307
|
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|
|
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|
|
@@ -314,7 +314,7 @@ exports.ValidationReportGeometryQualityPreset = (0, representation_preset_1.Stru
|
|
|
314
314
|
case 1:
|
|
315
315
|
_d.sent();
|
|
316
316
|
colorTheme = geometry_quality_1.GeometryQualityColorThemeProvider.name;
|
|
317
|
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return [4 /*yield*/, representation_preset_1.PresetStructureRepresentations.auto.apply(ref,
|
|
317
|
+
return [4 /*yield*/, representation_preset_1.PresetStructureRepresentations.auto.apply(ref, tslib_1.__assign(tslib_1.__assign({}, params), { theme: { globalName: colorTheme, focus: { name: colorTheme } } }), plugin)];
|
|
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318
|
case 2:
|
|
319
319
|
_b = _d.sent(), components = _b.components, representations = _b.representations;
|
|
320
320
|
return [4 /*yield*/, plugin.builders.structure.tryCreateComponentFromExpression(structureCell, hasClash.expression, 'clashes', { label: 'Clashes' })];
|
|
@@ -328,7 +328,7 @@ exports.ValidationReportGeometryQualityPreset = (0, representation_preset_1.Stru
|
|
|
328
328
|
return [4 /*yield*/, update.commit({ revertOnError: true })];
|
|
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|
case 4:
|
|
330
330
|
_d.sent();
|
|
331
|
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return [2 /*return*/, { components:
|
|
331
|
+
return [2 /*return*/, { components: tslib_1.__assign(tslib_1.__assign({}, components), { clashes: clashes }), representations: tslib_1.__assign(tslib_1.__assign({}, representations), { clashesBallAndStick: clashesBallAndStick, clashesRepr: clashesRepr }) }];
|
|
332
332
|
}
|
|
333
333
|
});
|
|
334
334
|
});
|
|
@@ -346,18 +346,18 @@ exports.ValidationReportDensityFitPreset = (0, representation_preset_1.Structure
|
|
|
346
346
|
params: function () { return representation_preset_1.StructureRepresentationPresetProvider.CommonParams; },
|
|
347
347
|
apply: function (ref, params, plugin) {
|
|
348
348
|
var _a;
|
|
349
|
-
return
|
|
349
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
350
350
|
var structureCell, structure, colorTheme;
|
|
351
351
|
var _this = this;
|
|
352
|
-
return
|
|
352
|
+
return tslib_1.__generator(this, function (_b) {
|
|
353
353
|
switch (_b.label) {
|
|
354
354
|
case 0:
|
|
355
355
|
structureCell = mol_state_1.StateObjectRef.resolveAndCheck(plugin.state.data, ref);
|
|
356
356
|
structure = (_a = structureCell === null || structureCell === void 0 ? void 0 : structureCell.obj) === null || _a === void 0 ? void 0 : _a.data;
|
|
357
357
|
if (!structureCell || !structure)
|
|
358
358
|
return [2 /*return*/, {}];
|
|
359
|
-
return [4 /*yield*/, plugin.runTask(mol_task_1.Task.create('Validation Report', function (runtime) { return
|
|
360
|
-
return
|
|
359
|
+
return [4 /*yield*/, plugin.runTask(mol_task_1.Task.create('Validation Report', function (runtime) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
|
|
360
|
+
return tslib_1.__generator(this, function (_a) {
|
|
361
361
|
switch (_a.label) {
|
|
362
362
|
case 0: return [4 /*yield*/, prop_1.ValidationReportProvider.attach({ runtime: runtime, assetManager: plugin.managers.asset }, structure.models[0])];
|
|
363
363
|
case 1:
|
|
@@ -369,7 +369,7 @@ exports.ValidationReportDensityFitPreset = (0, representation_preset_1.Structure
|
|
|
369
369
|
case 1:
|
|
370
370
|
_b.sent();
|
|
371
371
|
colorTheme = density_fit_1.DensityFitColorThemeProvider.name;
|
|
372
|
-
return [4 /*yield*/, representation_preset_1.PresetStructureRepresentations.auto.apply(ref,
|
|
372
|
+
return [4 /*yield*/, representation_preset_1.PresetStructureRepresentations.auto.apply(ref, tslib_1.__assign(tslib_1.__assign({}, params), { theme: { globalName: colorTheme, focus: { name: colorTheme } } }), plugin)];
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373
373
|
case 2: return [2 /*return*/, _b.sent()];
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374
374
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}
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|
375
375
|
});
|
|
@@ -388,18 +388,18 @@ exports.ValidationReportRandomCoilIndexPreset = (0, representation_preset_1.Stru
|
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|
388
388
|
params: function () { return representation_preset_1.StructureRepresentationPresetProvider.CommonParams; },
|
|
389
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|
apply: function (ref, params, plugin) {
|
|
390
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|
var _a;
|
|
391
|
-
return
|
|
391
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
392
392
|
var structureCell, structure, colorTheme;
|
|
393
393
|
var _this = this;
|
|
394
|
-
return
|
|
394
|
+
return tslib_1.__generator(this, function (_b) {
|
|
395
395
|
switch (_b.label) {
|
|
396
396
|
case 0:
|
|
397
397
|
structureCell = mol_state_1.StateObjectRef.resolveAndCheck(plugin.state.data, ref);
|
|
398
398
|
structure = (_a = structureCell === null || structureCell === void 0 ? void 0 : structureCell.obj) === null || _a === void 0 ? void 0 : _a.data;
|
|
399
399
|
if (!structureCell || !structure)
|
|
400
400
|
return [2 /*return*/, {}];
|
|
401
|
-
return [4 /*yield*/, plugin.runTask(mol_task_1.Task.create('Validation Report', function (runtime) { return
|
|
402
|
-
return
|
|
401
|
+
return [4 /*yield*/, plugin.runTask(mol_task_1.Task.create('Validation Report', function (runtime) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
|
|
402
|
+
return tslib_1.__generator(this, function (_a) {
|
|
403
403
|
switch (_a.label) {
|
|
404
404
|
case 0: return [4 /*yield*/, prop_1.ValidationReportProvider.attach({ runtime: runtime, assetManager: plugin.managers.asset }, structure.models[0])];
|
|
405
405
|
case 1:
|
|
@@ -411,7 +411,7 @@ exports.ValidationReportRandomCoilIndexPreset = (0, representation_preset_1.Stru
|
|
|
411
411
|
case 1:
|
|
412
412
|
_b.sent();
|
|
413
413
|
colorTheme = random_coil_index_1.RandomCoilIndexColorThemeProvider.name;
|
|
414
|
-
return [4 /*yield*/, representation_preset_1.PresetStructureRepresentations.auto.apply(ref,
|
|
414
|
+
return [4 /*yield*/, representation_preset_1.PresetStructureRepresentations.auto.apply(ref, tslib_1.__assign(tslib_1.__assign({}, params), { theme: { globalName: colorTheme, focus: { name: colorTheme } } }), plugin)];
|
|
415
415
|
case 2: return [2 /*return*/, _b.sent()];
|
|
416
416
|
}
|
|
417
417
|
});
|