molstar 3.3.1 → 3.6.0
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/LICENSE +20 -20
- package/README.md +202 -194
- package/build/viewer/embedded.html +43 -43
- package/build/viewer/index.html +106 -106
- package/build/viewer/molstar.js +1 -1
- package/build/viewer/molstar.js.LICENSE.txt +12 -14
- package/lib/apps/docking-viewer/index.html +36 -36
- package/lib/apps/docking-viewer/index.js +1 -1
- package/lib/apps/docking-viewer/viewport.js +1 -1
- package/lib/apps/viewer/app.d.ts +7 -6
- package/lib/apps/viewer/app.js +3 -1
- package/lib/apps/viewer/embedded.html +43 -43
- package/lib/apps/viewer/index.html +106 -106
- package/lib/cli/chem-comp-dict/create-saccharides.d.ts +7 -0
- package/lib/cli/chem-comp-dict/create-saccharides.js +67 -0
- package/lib/cli/chem-comp-dict/util.d.ts +20 -20
- package/lib/cli/cif2bcif/converter.js +1 -1
- package/lib/cli/cif2bcif/index.js +4 -4
- package/lib/cli/cifschema/util/cif-dic.d.ts +1 -1
- package/lib/cli/cifschema/util/cif-dic.js +7 -5
- package/lib/cli/cifschema/util/generate.d.ts +1 -1
- package/lib/cli/cifschema/util/generate.js +12 -3
- package/lib/cli/cifschema/util/schema.d.ts +3 -3
- package/lib/cli/cifschema/util/schema.js +1 -1
- package/lib/commonjs/apps/docking-viewer/index.js +14 -14
- package/lib/commonjs/apps/docking-viewer/viewport.js +33 -33
- package/lib/commonjs/apps/viewer/app.d.ts +7 -6
- package/lib/commonjs/apps/viewer/app.js +26 -24
- package/lib/commonjs/apps/viewer/index.js +1 -1
- package/lib/commonjs/cli/chem-comp-dict/create-ions.js +6 -6
- package/lib/commonjs/cli/chem-comp-dict/create-saccharides.d.ts +7 -0
- package/lib/commonjs/cli/chem-comp-dict/create-saccharides.js +69 -0
- package/lib/commonjs/cli/chem-comp-dict/create-table.js +8 -8
- package/lib/commonjs/cli/chem-comp-dict/util.d.ts +20 -20
- package/lib/commonjs/cli/chem-comp-dict/util.js +17 -17
- package/lib/commonjs/cli/cif2bcif/converter.js +9 -9
- package/lib/commonjs/cli/cif2bcif/index.js +12 -12
- package/lib/commonjs/cli/cifschema/index.js +27 -27
- package/lib/commonjs/cli/cifschema/util/cif-dic.d.ts +1 -1
- package/lib/commonjs/cli/cifschema/util/cif-dic.js +8 -6
- package/lib/commonjs/cli/cifschema/util/generate.d.ts +1 -1
- package/lib/commonjs/cli/cifschema/util/generate.js +12 -3
- package/lib/commonjs/cli/cifschema/util/schema.d.ts +3 -3
- package/lib/commonjs/cli/cifschema/util/schema.js +1 -1
- package/lib/commonjs/cli/lipid-params/index.js +9 -9
- package/lib/commonjs/cli/state-docs/index.js +2 -2
- package/lib/commonjs/cli/structure-info/helpers.js +11 -11
- package/lib/commonjs/cli/structure-info/model.js +15 -15
- package/lib/commonjs/cli/structure-info/volume.js +9 -9
- package/lib/commonjs/examples/alpha-orbitals/controls.js +3 -3
- package/lib/commonjs/examples/alpha-orbitals/index.js +12 -12
- package/lib/commonjs/examples/basic-wrapper/controls.js +2 -2
- package/lib/commonjs/examples/basic-wrapper/index.js +23 -23
- package/lib/commonjs/examples/basic-wrapper/superposition.js +8 -8
- package/lib/commonjs/examples/domain-annotation-server/mapping.js +3 -3
- package/lib/commonjs/examples/domain-annotation-server/server.js +6 -6
- package/lib/commonjs/examples/domain-annotation-server/test.js +3 -3
- package/lib/commonjs/examples/lighting/index.js +7 -7
- package/lib/commonjs/examples/proteopedia-wrapper/annotation.js +2 -2
- package/lib/commonjs/examples/proteopedia-wrapper/helpers.js +4 -4
- package/lib/commonjs/examples/proteopedia-wrapper/index.js +27 -27
- package/lib/commonjs/examples/proteopedia-wrapper/ui/controls.js +2 -2
- package/lib/commonjs/examples/task.js +15 -15
- package/lib/commonjs/extensions/alpha-orbitals/collocation.js +2 -2
- package/lib/commonjs/extensions/alpha-orbitals/data-model.js +1 -1
- package/lib/commonjs/extensions/alpha-orbitals/density.js +2 -2
- package/lib/commonjs/extensions/alpha-orbitals/gpu/compute.js +2 -2
- package/lib/commonjs/extensions/alpha-orbitals/orbitals.js +2 -2
- package/lib/commonjs/extensions/alpha-orbitals/transforms.js +13 -13
- package/lib/commonjs/extensions/anvil/algorithm.js +13 -13
- package/lib/commonjs/extensions/anvil/behavior.d.ts +1 -0
- package/lib/commonjs/extensions/anvil/behavior.js +14 -14
- package/lib/commonjs/extensions/anvil/prop.js +7 -7
- package/lib/commonjs/extensions/anvil/representation.d.ts +4 -0
- package/lib/commonjs/extensions/anvil/representation.js +5 -5
- package/lib/commonjs/extensions/cellpack/index.js +1 -1
- package/lib/commonjs/extensions/cellpack/model.js +26 -24
- package/lib/commonjs/extensions/cellpack/preset.js +6 -6
- package/lib/commonjs/extensions/cellpack/property.js +3 -3
- package/lib/commonjs/extensions/cellpack/representation.d.ts +1 -0
- package/lib/commonjs/extensions/cellpack/representation.js +2 -2
- package/lib/commonjs/extensions/cellpack/state.js +13 -13
- package/lib/commonjs/extensions/cellpack/util.js +14 -14
- package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.js +7 -7
- package/lib/commonjs/extensions/dnatco/confal-pyramids/color.d.ts +397 -2
- package/lib/commonjs/extensions/dnatco/confal-pyramids/color.js +223 -131
- package/lib/commonjs/extensions/dnatco/confal-pyramids/property.js +6 -8
- package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.d.ts +3 -0
- package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.js +2 -2
- package/lib/commonjs/extensions/dnatco/confal-pyramids/util.js +19 -20
- package/lib/commonjs/extensions/g3d/data.js +6 -6
- package/lib/commonjs/extensions/g3d/format.js +14 -14
- package/lib/commonjs/extensions/g3d/model.js +4 -4
- package/lib/commonjs/extensions/geo-export/controls.js +3 -3
- package/lib/commonjs/extensions/geo-export/glb-exporter.js +9 -9
- package/lib/commonjs/extensions/geo-export/index.js +1 -1
- package/lib/commonjs/extensions/geo-export/mesh-exporter.js +12 -12
- package/lib/commonjs/extensions/geo-export/obj-exporter.js +7 -7
- package/lib/commonjs/extensions/geo-export/stl-exporter.js +7 -7
- package/lib/commonjs/extensions/geo-export/ui.js +7 -7
- package/lib/commonjs/extensions/geo-export/usdz-exporter.js +9 -9
- package/lib/commonjs/extensions/model-archive/quality-assessment/behavior.js +9 -9
- package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.js +4 -4
- package/lib/commonjs/extensions/model-archive/quality-assessment/color/qmean.js +4 -4
- package/lib/commonjs/extensions/model-archive/quality-assessment/prop.js +5 -5
- package/lib/commonjs/extensions/model-export/export.js +4 -4
- package/lib/commonjs/extensions/model-export/index.js +1 -1
- package/lib/commonjs/extensions/model-export/ui.js +5 -5
- package/lib/commonjs/extensions/mp4-export/controls.js +5 -5
- package/lib/commonjs/extensions/mp4-export/encoder.js +4 -4
- package/lib/commonjs/extensions/mp4-export/index.js +1 -1
- package/lib/commonjs/extensions/mp4-export/ui.js +5 -5
- package/lib/commonjs/extensions/pdbe/preferred-assembly.js +2 -2
- package/lib/commonjs/extensions/pdbe/struct-ref-domain.js +2 -2
- package/lib/commonjs/extensions/pdbe/structure-quality-report/behavior.js +1 -1
- package/lib/commonjs/extensions/pdbe/structure-quality-report/prop.js +8 -8
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.d.ts +1 -0
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.js +17 -17
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js +2 -2
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/prop.js +9 -9
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.d.ts +1 -0
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.js +6 -6
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/ui.js +9 -9
- package/lib/commonjs/extensions/rcsb/validation-report/behavior.js +17 -17
- package/lib/commonjs/extensions/rcsb/validation-report/prop.js +15 -15
- package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +5 -0
- package/lib/commonjs/extensions/rcsb/validation-report/representation.js +3 -3
- package/lib/commonjs/extensions/zenodo/index.d.ts +7 -0
- package/lib/commonjs/extensions/zenodo/index.js +35 -0
- package/lib/commonjs/extensions/zenodo/ui.d.ts +61 -0
- package/lib/commonjs/extensions/zenodo/ui.js +306 -0
- package/lib/commonjs/mol-canvas3d/camera/stereo.js +1 -1
- package/lib/commonjs/mol-canvas3d/camera/util.js +1 -1
- package/lib/commonjs/mol-canvas3d/camera.js +2 -1
- package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +2 -0
- package/lib/commonjs/mol-canvas3d/canvas3d.js +14 -14
- package/lib/commonjs/mol-canvas3d/controls/trackball.js +1 -1
- package/lib/commonjs/mol-canvas3d/helper/bounding-sphere-helper.js +1 -1
- package/lib/commonjs/mol-canvas3d/helper/camera-helper.d.ts +1 -0
- package/lib/commonjs/mol-canvas3d/helper/camera-helper.js +5 -5
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.d.ts +1 -0
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.js +5 -5
- package/lib/commonjs/mol-canvas3d/helper/helper.d.ts +2 -0
- package/lib/commonjs/mol-canvas3d/helper/helper.js +1 -1
- package/lib/commonjs/mol-canvas3d/helper/interaction-events.js +2 -2
- package/lib/commonjs/mol-canvas3d/passes/draw.js +3 -3
- package/lib/commonjs/mol-canvas3d/passes/fxaa.js +3 -3
- package/lib/commonjs/mol-canvas3d/passes/image.d.ts +1 -0
- package/lib/commonjs/mol-canvas3d/passes/image.js +1 -1
- package/lib/commonjs/mol-canvas3d/passes/marking.js +6 -6
- package/lib/commonjs/mol-canvas3d/passes/multi-sample.js +3 -3
- package/lib/commonjs/mol-canvas3d/passes/postprocessing.js +12 -12
- package/lib/commonjs/mol-canvas3d/passes/smaa.js +9 -9
- package/lib/commonjs/mol-canvas3d/passes/wboit.js +3 -3
- package/lib/commonjs/mol-canvas3d/util.js +2 -2
- package/lib/commonjs/mol-data/db/column.d.ts +10 -3
- package/lib/commonjs/mol-data/db/column.js +40 -18
- package/lib/commonjs/mol-data/db/table.js +1 -1
- package/lib/commonjs/mol-data/db.js +1 -1
- package/lib/commonjs/mol-data/generic.js +3 -3
- package/lib/commonjs/mol-data/index.js +4 -4
- package/lib/commonjs/mol-data/int/interval.js +1 -1
- package/lib/commonjs/mol-data/int/ordered-set.js +1 -1
- package/lib/commonjs/mol-data/int/segmentation.js +1 -1
- package/lib/commonjs/mol-data/int/sorted-array.js +1 -1
- package/lib/commonjs/mol-data/util.js +7 -7
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +4 -2
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.js +4 -4
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +3 -3
- package/lib/commonjs/mol-geo/geometry/direct-volume/transfer-function.js +1 -1
- package/lib/commonjs/mol-geo/geometry/image/image.js +3 -3
- package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +0 -1
- package/lib/commonjs/mol-geo/geometry/lines/lines.js +3 -3
- package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.js +5 -3
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.d.ts +2 -1
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +4 -4
- package/lib/commonjs/mol-geo/geometry/points/points.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/points/points.js +3 -3
- package/lib/commonjs/mol-geo/geometry/size-data.js +1 -1
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +2 -1
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.js +4 -4
- package/lib/commonjs/mol-geo/geometry/text/font-atlas.js +1 -1
- package/lib/commonjs/mol-geo/geometry/text/text-builder.js +3 -2
- package/lib/commonjs/mol-geo/geometry/text/text.js +3 -3
- package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js +10 -8
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +2 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +4 -4
- package/lib/commonjs/mol-geo/primitive/circle.js +1 -1
- package/lib/commonjs/mol-geo/primitive/cylinder.js +1 -1
- package/lib/commonjs/mol-geo/primitive/polyhedron.js +1 -1
- package/lib/commonjs/mol-geo/primitive/prism.js +1 -1
- package/lib/commonjs/mol-geo/primitive/star.js +1 -1
- package/lib/commonjs/mol-geo/primitive/torus.js +1 -1
- package/lib/commonjs/mol-geo/util/marching-cubes/algorithm.js +9 -9
- package/lib/commonjs/mol-gl/compute/grid3d.js +5 -5
- package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js +3 -3
- package/lib/commonjs/mol-gl/compute/histogram-pyramid/sum.js +3 -3
- package/lib/commonjs/mol-gl/compute/marching-cubes/active-voxels.js +3 -3
- package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.js +3 -3
- package/lib/commonjs/mol-gl/compute/util.js +3 -3
- package/lib/commonjs/mol-gl/renderable/cylinders.js +3 -3
- package/lib/commonjs/mol-gl/renderable/direct-volume.js +3 -3
- package/lib/commonjs/mol-gl/renderable/image.js +3 -3
- package/lib/commonjs/mol-gl/renderable/lines.js +3 -3
- package/lib/commonjs/mol-gl/renderable/mesh.js +3 -3
- package/lib/commonjs/mol-gl/renderable/points.js +3 -3
- package/lib/commonjs/mol-gl/renderable/schema.js +1 -1
- package/lib/commonjs/mol-gl/renderable/spheres.js +3 -3
- package/lib/commonjs/mol-gl/renderable/text.js +3 -3
- package/lib/commonjs/mol-gl/renderable/texture-mesh.js +3 -3
- package/lib/commonjs/mol-gl/renderable/util.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/wboit-write.glsl.d.ts +2 -2
- package/lib/commonjs/mol-gl/shader/chunks/wboit-write.glsl.js +2 -2
- package/lib/commonjs/mol-gl/shader/direct-volume.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/direct-volume.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/image.frag.d.ts +2 -2
- package/lib/commonjs/mol-gl/shader/image.frag.js +2 -2
- package/lib/commonjs/mol-gl/shader/lines.frag.d.ts +2 -2
- package/lib/commonjs/mol-gl/shader/lines.frag.js +2 -2
- package/lib/commonjs/mol-gl/shader/points.frag.d.ts +2 -2
- package/lib/commonjs/mol-gl/shader/points.frag.js +2 -2
- package/lib/commonjs/mol-gl/shader/text.frag.d.ts +2 -2
- package/lib/commonjs/mol-gl/shader/text.frag.js +2 -2
- package/lib/commonjs/mol-gl/shader-code.js +2 -1
- package/lib/commonjs/mol-gl/webgl/buffer.d.ts +2 -2
- package/lib/commonjs/mol-gl/webgl/buffer.js +16 -17
- package/lib/commonjs/mol-gl/webgl/context.d.ts +1 -1
- package/lib/commonjs/mol-gl/webgl/context.js +5 -5
- package/lib/commonjs/mol-gl/webgl/program.d.ts +1 -1
- package/lib/commonjs/mol-gl/webgl/program.js +10 -4
- package/lib/commonjs/mol-gl/webgl/render-item.js +1 -1
- package/lib/commonjs/mol-gl/webgl/resources.js +2 -2
- package/lib/commonjs/mol-io/common/binary-cif/classifier.js +7 -6
- package/lib/commonjs/mol-io/common/binary-cif/decoder.js +4 -3
- package/lib/commonjs/mol-io/common/binary-cif.js +3 -3
- package/lib/commonjs/mol-io/common/io-buffer.d.ts +206 -0
- package/lib/commonjs/mol-io/common/io-buffer.js +408 -0
- package/lib/commonjs/mol-io/common/netcdf/reader.d.ts +78 -0
- package/lib/commonjs/mol-io/common/netcdf/reader.js +459 -0
- package/lib/commonjs/mol-io/common/typed-array.js +2 -2
- package/lib/commonjs/mol-io/reader/ccp4/parser.js +8 -8
- package/lib/commonjs/mol-io/reader/cif/binary/parser.js +3 -3
- package/lib/commonjs/mol-io/reader/cif/data-model.js +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/bird.d.ts +8 -8
- package/lib/commonjs/mol-io/reader/cif/schema/bird.js +12 -11
- package/lib/commonjs/mol-io/reader/cif/schema/ccd-extras.d.ts +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/ccd.d.ts +12 -12
- package/lib/commonjs/mol-io/reader/cif/schema/ccd.js +13 -12
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif-extras.d.ts +5 -5
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif-extras.js +4 -4
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif.d.ts +31 -27
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif.js +44 -39
- package/lib/commonjs/mol-io/reader/cif/schema.d.ts +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema.js +24 -4
- package/lib/commonjs/mol-io/reader/cif/text/parser.js +7 -7
- package/lib/commonjs/mol-io/reader/cif.js +1 -1
- package/lib/commonjs/mol-io/reader/common/text/tokenizer.js +4 -4
- package/lib/commonjs/mol-io/reader/csv/data-model.js +1 -1
- package/lib/commonjs/mol-io/reader/csv/parser.js +7 -7
- package/lib/commonjs/mol-io/reader/cube/parser.js +2 -2
- package/lib/commonjs/mol-io/reader/dcd/parser.js +2 -2
- package/lib/commonjs/mol-io/reader/dsn6/parser.js +8 -8
- package/lib/commonjs/mol-io/reader/dx/parser.js +4 -4
- package/lib/commonjs/mol-io/reader/gro/parser.js +6 -6
- package/lib/commonjs/mol-io/reader/mol/parser.js +2 -2
- package/lib/commonjs/mol-io/reader/mol2/parser.js +8 -8
- package/lib/commonjs/mol-io/reader/nctraj/parser.d.ts +18 -0
- package/lib/commonjs/mol-io/reader/nctraj/parser.js +101 -0
- package/lib/commonjs/mol-io/reader/obj/parser.js +4 -4
- package/lib/commonjs/mol-io/reader/pdb/parser.js +2 -2
- package/lib/commonjs/mol-io/reader/ply/parser.js +4 -4
- package/lib/commonjs/mol-io/reader/prmtop/parser.d.ts +58 -0
- package/lib/commonjs/mol-io/reader/prmtop/parser.js +172 -0
- package/lib/commonjs/mol-io/reader/psf/parser.js +8 -8
- package/lib/commonjs/mol-io/reader/sdf/parser.js +2 -2
- package/lib/commonjs/mol-io/reader/top/parser.d.ts +37 -0
- package/lib/commonjs/mol-io/reader/top/parser.js +303 -0
- package/lib/commonjs/mol-io/reader/trr/parser.d.ts +22 -0
- package/lib/commonjs/mol-io/reader/trr/parser.js +146 -0
- package/lib/commonjs/mol-io/reader/xtc/parser.js +4 -4
- package/lib/commonjs/mol-io/reader/xyz/parser.js +2 -2
- package/lib/commonjs/mol-io/writer/cif/encoder.js +3 -2
- package/lib/commonjs/mol-io/writer/cif.js +1 -1
- package/lib/commonjs/mol-io/writer/ligand-encoder.js +1 -1
- package/lib/commonjs/mol-io/writer/mol/encoder.js +2 -2
- package/lib/commonjs/mol-io/writer/mol2/encoder.js +1 -1
- package/lib/commonjs/mol-math/geometry/boundary-helper.js +5 -5
- package/lib/commonjs/mol-math/geometry/common.d.ts +2 -1
- package/lib/commonjs/mol-math/geometry/common.js +1 -1
- package/lib/commonjs/mol-math/geometry/gaussian-density/cpu.d.ts +1 -1
- package/lib/commonjs/mol-math/geometry/gaussian-density/cpu.js +6 -6
- package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.d.ts +1 -1
- package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.js +8 -8
- package/lib/commonjs/mol-math/geometry/gaussian-density.d.ts +2 -2
- package/lib/commonjs/mol-math/geometry/gaussian-density.js +5 -5
- package/lib/commonjs/mol-math/geometry/molecular-surface.d.ts +2 -1
- package/lib/commonjs/mol-math/geometry/molecular-surface.js +10 -10
- package/lib/commonjs/mol-math/geometry/primitives/box3d.js +2 -1
- package/lib/commonjs/mol-math/geometry/primitives/sphere3d.js +13 -7
- package/lib/commonjs/mol-math/geometry.js +8 -8
- package/lib/commonjs/mol-math/graph/inter-unit-graph.js +1 -1
- package/lib/commonjs/mol-math/graph.js +1 -1
- package/lib/commonjs/mol-math/linear-algebra.js +2 -2
- package/lib/commonjs/mol-model/sequence/alignment/alignment.js +1 -1
- package/lib/commonjs/mol-model/sequence/sequence.js +2 -1
- package/lib/commonjs/mol-model/sequence.js +1 -1
- package/lib/commonjs/mol-model/shape.js +1 -1
- package/lib/commonjs/mol-model/structure/coordinates.js +1 -1
- package/lib/commonjs/mol-model/structure/export/categories/secondary-structure.js +2 -2
- package/lib/commonjs/mol-model/structure/model/model.js +17 -9
- package/lib/commonjs/mol-model/structure/model/properties/atomic.js +3 -3
- package/lib/commonjs/mol-model/structure/model/properties/coarse.js +2 -2
- package/lib/commonjs/mol-model/structure/model/properties/common.js +1 -1
- package/lib/commonjs/mol-model/structure/model/types/saccharides.d.ts +8 -0
- package/lib/commonjs/mol-model/structure/model/types/saccharides.js +11 -0
- package/lib/commonjs/mol-model/structure/model/types.d.ts +19 -17
- package/lib/commonjs/mol-model/structure/model/types.js +30 -31
- package/lib/commonjs/mol-model/structure/model.js +3 -3
- package/lib/commonjs/mol-model/structure/query/queries/generators.js +3 -3
- 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/properties.d.ts +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 +5 -7
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/intra-compute.js +2 -4
- package/lib/commonjs/mol-model/structure/structure/unit/bonds.js +3 -3
- package/lib/commonjs/mol-model/structure/structure/unit/rings.js +3 -0
- 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.d.ts +2 -0
- 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 +2 -2
- 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 +4 -4
- 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.d.ts +3 -3
- package/lib/commonjs/mol-model-formats/structure/common/component.js +51 -47
- 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/atom-site.d.ts +2 -2
- package/lib/commonjs/mol-model-formats/structure/pdb/atom-site.js +72 -7
- package/lib/commonjs/mol-model-formats/structure/pdb/secondary-structure.js +11 -11
- package/lib/commonjs/mol-model-formats/structure/pdb/to-cif.js +9 -4
- 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/chem_comp.js +1 -1
- package/lib/commonjs/mol-model-formats/structure/property/bonds/index-pair.js +1 -1
- package/lib/commonjs/mol-model-formats/structure/property/bonds/struct_conn.js +1 -1
- package/lib/commonjs/mol-model-formats/structure/property/symmetry.js +11 -1
- package/lib/commonjs/mol-model-formats/structure/psf.js +5 -3
- package/lib/commonjs/mol-model-formats/structure/top.d.ts +16 -0
- package/lib/commonjs/mol-model-formats/structure/top.js +189 -0
- package/lib/commonjs/mol-model-formats/structure/trr.d.ts +9 -0
- package/lib/commonjs/mol-model-formats/structure/trr.js +46 -0
- package/lib/commonjs/mol-model-formats/structure/util.d.ts +2 -2
- package/lib/commonjs/mol-model-formats/structure/util.js +19 -20
- package/lib/commonjs/mol-model-formats/structure/xtc.js +2 -2
- package/lib/commonjs/mol-model-formats/structure/xyz.js +2 -2
- package/lib/commonjs/mol-model-formats/volume/ccp4.js +2 -2
- package/lib/commonjs/mol-model-formats/volume/cube.js +2 -2
- package/lib/commonjs/mol-model-formats/volume/density-server.js +2 -2
- package/lib/commonjs/mol-model-formats/volume/dsn6.js +2 -2
- package/lib/commonjs/mol-model-formats/volume/dx.js +2 -2
- package/lib/commonjs/mol-model-props/common/custom-element-property.js +2 -2
- package/lib/commonjs/mol-model-props/common/custom-model-property.js +5 -5
- package/lib/commonjs/mol-model-props/common/custom-property.js +1 -1
- package/lib/commonjs/mol-model-props/common/custom-structure-property.js +6 -6
- package/lib/commonjs/mol-model-props/computed/accessible-surface-area/shrake-rupley/area.js +2 -2
- package/lib/commonjs/mol-model-props/computed/accessible-surface-area/shrake-rupley.js +5 -5
- package/lib/commonjs/mol-model-props/computed/accessible-surface-area.js +4 -4
- package/lib/commonjs/mol-model-props/computed/chemistry/valence-model.js +3 -3
- package/lib/commonjs/mol-model-props/computed/helix-orientation.js +2 -2
- package/lib/commonjs/mol-model-props/computed/interactions/common.js +1 -1
- package/lib/commonjs/mol-model-props/computed/interactions/contacts.js +1 -1
- package/lib/commonjs/mol-model-props/computed/interactions/features.js +1 -1
- package/lib/commonjs/mol-model-props/computed/interactions/hydrogen-bonds.js +3 -3
- package/lib/commonjs/mol-model-props/computed/interactions/interactions.js +3 -3
- package/lib/commonjs/mol-model-props/computed/interactions.js +4 -4
- package/lib/commonjs/mol-model-props/computed/representations/interactions-inter-unit-cylinder.d.ts +1 -0
- package/lib/commonjs/mol-model-props/computed/representations/interactions-inter-unit-cylinder.js +1 -1
- package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.d.ts +1 -0
- package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js +3 -3
- package/lib/commonjs/mol-model-props/computed/representations/interactions.d.ts +3 -0
- package/lib/commonjs/mol-model-props/computed/representations/interactions.js +1 -1
- package/lib/commonjs/mol-model-props/computed/secondary-structure/dssp.js +2 -2
- package/lib/commonjs/mol-model-props/computed/secondary-structure.js +7 -7
- package/lib/commonjs/mol-model-props/computed/valence-model.js +4 -4
- package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/property.js +2 -2
- package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/representation.d.ts +4 -0
- package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/representation.js +2 -2
- package/lib/commonjs/mol-model-props/sequence/sifts-mapping.js +2 -2
- package/lib/commonjs/mol-model-props/sequence/themes/sifts-mapping.js +3 -3
- package/lib/commonjs/mol-plugin/animation-loop.js +2 -2
- package/lib/commonjs/mol-plugin/behavior/behavior.js +5 -5
- package/lib/commonjs/mol-plugin/behavior/dynamic/camera.js +2 -2
- package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props/computed/accessible-surface-area.js +1 -1
- package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props/computed/interactions.js +1 -1
- package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props/computed/secondary-structure.js +1 -1
- package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props/computed/valence-model.js +1 -1
- package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props/integrative/cross-link-restraint.js +1 -1
- package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props/sequence/sifts-mapping.js +1 -1
- package/lib/commonjs/mol-plugin/behavior/dynamic/custom-props/structure-info.js +2 -2
- package/lib/commonjs/mol-plugin/behavior/dynamic/representation.js +3 -3
- package/lib/commonjs/mol-plugin/behavior/dynamic/selection/structure-focus-representation.js +11 -11
- package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/behavior.js +12 -12
- package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/model.d.ts +2 -3
- package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/model.js +1 -1
- package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/transformers.js +16 -16
- package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/util.js +13 -12
- package/lib/commonjs/mol-plugin/behavior/static/state.js +6 -6
- package/lib/commonjs/mol-plugin/behavior.js +8 -8
- package/lib/commonjs/mol-plugin/command.js +2 -2
- package/lib/commonjs/mol-plugin/commands.d.ts +1 -0
- package/lib/commonjs/mol-plugin/context.d.ts +2 -1
- package/lib/commonjs/mol-plugin/context.js +9 -8
- package/lib/commonjs/mol-plugin/layout.js +2 -2
- package/lib/commonjs/mol-plugin/spec.js +1 -1
- package/lib/commonjs/mol-plugin/state.js +5 -5
- package/lib/commonjs/mol-plugin/util/task-manager.js +4 -4
- package/lib/commonjs/mol-plugin/util/toast.js +1 -1
- package/lib/commonjs/mol-plugin/util/viewport-screenshot.d.ts +3 -0
- package/lib/commonjs/mol-plugin/util/viewport-screenshot.js +17 -17
- package/lib/commonjs/mol-plugin-state/actions/file.d.ts +1 -1
- package/lib/commonjs/mol-plugin-state/actions/file.js +94 -61
- package/lib/commonjs/mol-plugin-state/actions/structure.d.ts +17 -8
- package/lib/commonjs/mol-plugin-state/actions/structure.js +190 -20
- package/lib/commonjs/mol-plugin-state/actions/volume.js +5 -4
- package/lib/commonjs/mol-plugin-state/actions.js +3 -3
- package/lib/commonjs/mol-plugin-state/animation/built-in/assembly-unwind.js +2 -2
- package/lib/commonjs/mol-plugin-state/animation/built-in/camera-rock.js +3 -3
- package/lib/commonjs/mol-plugin-state/animation/built-in/camera-spin.js +3 -3
- package/lib/commonjs/mol-plugin-state/animation/built-in/explode-units.js +4 -4
- package/lib/commonjs/mol-plugin-state/animation/built-in/model-index.js +2 -2
- package/lib/commonjs/mol-plugin-state/animation/built-in/spin-structure.js +5 -5
- package/lib/commonjs/mol-plugin-state/animation/built-in/state-interpolation.js +2 -2
- package/lib/commonjs/mol-plugin-state/animation/built-in/state-snapshots.js +5 -5
- package/lib/commonjs/mol-plugin-state/builder/data.js +2 -2
- package/lib/commonjs/mol-plugin-state/builder/structure/hierarchy-preset.js +16 -16
- package/lib/commonjs/mol-plugin-state/builder/structure/representation-preset.js +28 -28
- package/lib/commonjs/mol-plugin-state/builder/structure/representation.js +2 -2
- package/lib/commonjs/mol-plugin-state/builder/structure.js +7 -7
- package/lib/commonjs/mol-plugin-state/component.js +1 -1
- package/lib/commonjs/mol-plugin-state/formats/{structure.d.ts → coordinates.d.ts} +34 -18
- package/lib/commonjs/mol-plugin-state/formats/coordinates.js +70 -0
- package/lib/commonjs/mol-plugin-state/formats/registry.d.ts +3 -3
- package/lib/commonjs/mol-plugin-state/formats/registry.js +13 -8
- package/lib/commonjs/mol-plugin-state/formats/shape.js +2 -2
- package/lib/commonjs/mol-plugin-state/formats/topology.d.ts +73 -0
- package/lib/commonjs/mol-plugin-state/formats/topology.js +87 -0
- package/lib/commonjs/mol-plugin-state/formats/trajectory.js +6 -6
- package/lib/commonjs/mol-plugin-state/formats/volume.js +21 -21
- package/lib/commonjs/mol-plugin-state/helpers/root-structure.js +14 -14
- package/lib/commonjs/mol-plugin-state/helpers/structure-clipping.js +7 -7
- package/lib/commonjs/mol-plugin-state/helpers/structure-component.js +2 -1
- package/lib/commonjs/mol-plugin-state/helpers/structure-overpaint.js +11 -11
- package/lib/commonjs/mol-plugin-state/helpers/structure-selection-query.d.ts +1 -1
- package/lib/commonjs/mol-plugin-state/helpers/structure-selection-query.js +4 -4
- package/lib/commonjs/mol-plugin-state/helpers/structure-substance.js +11 -11
- package/lib/commonjs/mol-plugin-state/helpers/structure-transparency.js +11 -11
- package/lib/commonjs/mol-plugin-state/manager/animation.js +17 -17
- package/lib/commonjs/mol-plugin-state/manager/camera.js +1 -1
- package/lib/commonjs/mol-plugin-state/manager/interactivity.js +6 -6
- package/lib/commonjs/mol-plugin-state/manager/snapshots.js +14 -14
- package/lib/commonjs/mol-plugin-state/manager/structure/component.js +26 -26
- package/lib/commonjs/mol-plugin-state/manager/structure/focus.js +2 -2
- package/lib/commonjs/mol-plugin-state/manager/structure/hierarchy-state.js +1 -1
- package/lib/commonjs/mol-plugin-state/manager/structure/hierarchy.js +8 -8
- package/lib/commonjs/mol-plugin-state/manager/structure/measurement.js +21 -21
- package/lib/commonjs/mol-plugin-state/manager/structure/selection.js +3 -3
- package/lib/commonjs/mol-plugin-state/manager/volume/hierarchy.js +1 -1
- package/lib/commonjs/mol-plugin-state/objects.d.ts +47 -1
- package/lib/commonjs/mol-plugin-state/objects.js +46 -30
- package/lib/commonjs/mol-plugin-state/transforms/data.d.ts +6 -0
- package/lib/commonjs/mol-plugin-state/transforms/data.js +93 -41
- package/lib/commonjs/mol-plugin-state/transforms/model.d.ts +14 -2
- package/lib/commonjs/mol-plugin-state/transforms/model.js +163 -54
- package/lib/commonjs/mol-plugin-state/transforms/representation.d.ts +6 -0
- package/lib/commonjs/mol-plugin-state/transforms/representation.js +77 -77
- package/lib/commonjs/mol-plugin-state/transforms/shape.js +2 -2
- package/lib/commonjs/mol-plugin-state/transforms/volume.js +16 -16
- package/lib/commonjs/mol-plugin-state/transforms.js +6 -6
- package/lib/commonjs/mol-plugin-ui/base.js +5 -5
- package/lib/commonjs/mol-plugin-ui/context.js +1 -1
- package/lib/commonjs/mol-plugin-ui/controls/action-menu.js +14 -14
- package/lib/commonjs/mol-plugin-ui/controls/color.js +7 -7
- package/lib/commonjs/mol-plugin-ui/controls/common.js +16 -16
- package/lib/commonjs/mol-plugin-ui/controls/icons.js +70 -70
- package/lib/commonjs/mol-plugin-ui/controls/legend.js +7 -7
- package/lib/commonjs/mol-plugin-ui/controls/line-graph/line-graph-component.js +3 -3
- package/lib/commonjs/mol-plugin-ui/controls/line-graph/point-component.js +2 -2
- package/lib/commonjs/mol-plugin-ui/controls/parameters.js +94 -94
- package/lib/commonjs/mol-plugin-ui/controls/screenshot.js +5 -5
- package/lib/commonjs/mol-plugin-ui/controls/slider.js +16 -16
- package/lib/commonjs/mol-plugin-ui/controls.js +16 -16
- package/lib/commonjs/mol-plugin-ui/custom/volume.js +16 -16
- package/lib/commonjs/mol-plugin-ui/index.js +4 -4
- package/lib/commonjs/mol-plugin-ui/left-panel.d.ts +8 -1
- package/lib/commonjs/mol-plugin-ui/left-panel.js +40 -19
- package/lib/commonjs/mol-plugin-ui/plugin.js +17 -17
- package/lib/commonjs/mol-plugin-ui/react18.d.ts +11 -0
- package/lib/commonjs/mol-plugin-ui/react18.js +38 -0
- package/lib/commonjs/mol-plugin-ui/sequence/chain.js +1 -1
- package/lib/commonjs/mol-plugin-ui/sequence/element.js +1 -1
- package/lib/commonjs/mol-plugin-ui/sequence/hetero.js +1 -1
- package/lib/commonjs/mol-plugin-ui/sequence/polymer.js +1 -1
- package/lib/commonjs/mol-plugin-ui/sequence/sequence.js +6 -6
- package/lib/commonjs/mol-plugin-ui/sequence.js +9 -9
- package/lib/commonjs/mol-plugin-ui/spec.js +1 -1
- package/lib/commonjs/mol-plugin-ui/state/actions.js +2 -2
- package/lib/commonjs/mol-plugin-ui/state/animation.js +2 -2
- package/lib/commonjs/mol-plugin-ui/state/apply-action.js +1 -1
- package/lib/commonjs/mol-plugin-ui/state/common.js +12 -12
- package/lib/commonjs/mol-plugin-ui/state/snapshots.js +29 -29
- package/lib/commonjs/mol-plugin-ui/state/tree.js +19 -19
- package/lib/commonjs/mol-plugin-ui/state/update-transform.js +3 -3
- package/lib/commonjs/mol-plugin-ui/structure/components.js +19 -19
- package/lib/commonjs/mol-plugin-ui/structure/focus.d.ts +1 -1
- package/lib/commonjs/mol-plugin-ui/structure/focus.js +6 -6
- package/lib/commonjs/mol-plugin-ui/structure/generic.js +6 -6
- package/lib/commonjs/mol-plugin-ui/structure/measurements.js +13 -13
- package/lib/commonjs/mol-plugin-ui/structure/quick-styles.js +11 -11
- package/lib/commonjs/mol-plugin-ui/structure/selection.js +13 -13
- package/lib/commonjs/mol-plugin-ui/structure/source.js +12 -12
- package/lib/commonjs/mol-plugin-ui/structure/superposition.js +20 -20
- package/lib/commonjs/mol-plugin-ui/structure/volume.js +12 -12
- package/lib/commonjs/mol-plugin-ui/task.js +8 -8
- package/lib/commonjs/mol-plugin-ui/toast.js +6 -6
- package/lib/commonjs/mol-plugin-ui/viewport/canvas.js +5 -5
- package/lib/commonjs/mol-plugin-ui/viewport/help.js +14 -14
- package/lib/commonjs/mol-plugin-ui/viewport/screenshot.js +8 -8
- package/lib/commonjs/mol-plugin-ui/viewport/simple-settings.js +6 -6
- package/lib/commonjs/mol-plugin-ui/viewport.js +7 -7
- package/lib/commonjs/mol-repr/representation.js +4 -4
- package/lib/commonjs/mol-repr/shape/loci/angle.d.ts +1 -0
- package/lib/commonjs/mol-repr/shape/loci/angle.js +9 -9
- package/lib/commonjs/mol-repr/shape/loci/common.js +1 -1
- package/lib/commonjs/mol-repr/shape/loci/dihedral.d.ts +1 -0
- package/lib/commonjs/mol-repr/shape/loci/dihedral.js +14 -14
- package/lib/commonjs/mol-repr/shape/loci/distance.js +5 -5
- package/lib/commonjs/mol-repr/shape/loci/label.js +3 -3
- package/lib/commonjs/mol-repr/shape/loci/orientation.d.ts +1 -0
- package/lib/commonjs/mol-repr/shape/loci/orientation.js +4 -4
- package/lib/commonjs/mol-repr/shape/loci/plane.d.ts +1 -0
- package/lib/commonjs/mol-repr/shape/loci/plane.js +2 -2
- package/lib/commonjs/mol-repr/shape/model/unitcell.d.ts +1 -0
- package/lib/commonjs/mol-repr/shape/model/unitcell.js +2 -2
- package/lib/commonjs/mol-repr/shape/representation.js +2 -2
- package/lib/commonjs/mol-repr/structure/complex-representation.js +2 -2
- package/lib/commonjs/mol-repr/structure/complex-visual.d.ts +3 -0
- package/lib/commonjs/mol-repr/structure/complex-visual.js +12 -12
- package/lib/commonjs/mol-repr/structure/params.d.ts +4 -0
- package/lib/commonjs/mol-repr/structure/params.js +8 -8
- package/lib/commonjs/mol-repr/structure/registry.d.ts +10 -0
- package/lib/commonjs/mol-repr/structure/registry.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/backbone.d.ts +3 -0
- package/lib/commonjs/mol-repr/structure/representation/backbone.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/ball-and-stick.d.ts +3 -0
- package/lib/commonjs/mol-repr/structure/representation/ball-and-stick.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/carbohydrate.d.ts +3 -0
- package/lib/commonjs/mol-repr/structure/representation/carbohydrate.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/cartoon.d.ts +3 -0
- package/lib/commonjs/mol-repr/structure/representation/cartoon.js +3 -3
- package/lib/commonjs/mol-repr/structure/representation/ellipsoid.d.ts +3 -0
- package/lib/commonjs/mol-repr/structure/representation/ellipsoid.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/gaussian-surface.d.ts +3 -0
- package/lib/commonjs/mol-repr/structure/representation/gaussian-surface.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/gaussian-volume.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/label.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/line.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/molecular-surface.d.ts +3 -0
- package/lib/commonjs/mol-repr/structure/representation/molecular-surface.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/orientation.d.ts +3 -0
- package/lib/commonjs/mol-repr/structure/representation/orientation.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/point.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/putty.d.ts +3 -0
- package/lib/commonjs/mol-repr/structure/representation/putty.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation/spacefill.d.ts +3 -0
- package/lib/commonjs/mol-repr/structure/representation/spacefill.js +1 -1
- package/lib/commonjs/mol-repr/structure/representation.js +1 -1
- package/lib/commonjs/mol-repr/structure/units-representation.js +2 -2
- package/lib/commonjs/mol-repr/structure/units-visual.d.ts +4 -0
- package/lib/commonjs/mol-repr/structure/units-visual.js +16 -16
- package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-cylinder.d.ts +2 -0
- package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-cylinder.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-line.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-cylinder.d.ts +2 -0
- package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-cylinder.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-line.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/carbohydrate-link-cylinder.d.ts +1 -0
- package/lib/commonjs/mol-repr/structure/visual/carbohydrate-link-cylinder.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/carbohydrate-symbol-mesh.d.ts +1 -0
- package/lib/commonjs/mol-repr/structure/visual/carbohydrate-symbol-mesh.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.d.ts +1 -0
- package/lib/commonjs/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/element-cross.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/element-point.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/element-sphere.d.ts +2 -0
- package/lib/commonjs/mol-repr/structure/visual/element-sphere.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/ellipsoid-mesh.d.ts +1 -0
- package/lib/commonjs/mol-repr/structure/visual/ellipsoid-mesh.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/gaussian-density-volume.js +8 -9
- package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-mesh.d.ts +5 -1
- package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-mesh.js +20 -20
- package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-wireframe.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-wireframe.js +7 -8
- package/lib/commonjs/mol-repr/structure/visual/label-text.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/molecular-surface-mesh.d.ts +1 -0
- package/lib/commonjs/mol-repr/structure/visual/molecular-surface-mesh.js +6 -6
- package/lib/commonjs/mol-repr/structure/visual/molecular-surface-wireframe.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/visual/molecular-surface-wireframe.js +7 -7
- package/lib/commonjs/mol-repr/structure/visual/nucleotide-block-mesh.d.ts +1 -0
- package/lib/commonjs/mol-repr/structure/visual/nucleotide-block-mesh.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/nucleotide-ring-mesh.d.ts +1 -0
- package/lib/commonjs/mol-repr/structure/visual/nucleotide-ring-mesh.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/orientation-ellipsoid-mesh.d.ts +1 -0
- package/lib/commonjs/mol-repr/structure/visual/orientation-ellipsoid-mesh.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/polymer-backbone-cylinder.d.ts +2 -0
- package/lib/commonjs/mol-repr/structure/visual/polymer-backbone-cylinder.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/polymer-backbone-sphere.d.ts +2 -0
- package/lib/commonjs/mol-repr/structure/visual/polymer-backbone-sphere.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/polymer-direction-wedge.d.ts +1 -0
- package/lib/commonjs/mol-repr/structure/visual/polymer-direction-wedge.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/polymer-gap-cylinder.d.ts +1 -0
- package/lib/commonjs/mol-repr/structure/visual/polymer-gap-cylinder.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/polymer-trace-mesh.d.ts +1 -0
- package/lib/commonjs/mol-repr/structure/visual/polymer-trace-mesh.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/polymer-tube-mesh.d.ts +1 -0
- package/lib/commonjs/mol-repr/structure/visual/polymer-tube-mesh.js +1 -1
- package/lib/commonjs/mol-repr/structure/visual/util/bond.js +2 -2
- package/lib/commonjs/mol-repr/structure/visual/util/common.d.ts +1 -3
- package/lib/commonjs/mol-repr/structure/visual/util/common.js +3 -28
- package/lib/commonjs/mol-repr/structure/visual/util/gaussian.js +13 -13
- package/lib/commonjs/mol-repr/structure/visual/util/molecular-surface.js +5 -5
- package/lib/commonjs/mol-repr/structure/visual/util/polymer.js +4 -4
- package/lib/commonjs/mol-repr/util.d.ts +2 -1
- package/lib/commonjs/mol-repr/util.js +3 -3
- package/lib/commonjs/mol-repr/volume/direct-volume.js +3 -3
- package/lib/commonjs/mol-repr/volume/isosurface.d.ts +5 -0
- package/lib/commonjs/mol-repr/volume/isosurface.js +9 -9
- package/lib/commonjs/mol-repr/volume/registry.d.ts +1 -0
- package/lib/commonjs/mol-repr/volume/registry.js +1 -1
- package/lib/commonjs/mol-repr/volume/representation.js +5 -5
- package/lib/commonjs/mol-repr/volume/slice.js +4 -4
- package/lib/commonjs/mol-script/language/builder.d.ts +1 -0
- package/lib/commonjs/mol-script/language/parser.js +7 -4
- package/lib/commonjs/mol-script/language/symbol-table/internal.js +1 -1
- package/lib/commonjs/mol-script/language/symbol-table/structure-query.js +1 -1
- package/lib/commonjs/mol-script/runtime/query/compiler.js +1 -1
- package/lib/commonjs/mol-script/script/mol-script/symbols.js +1 -1
- package/lib/commonjs/mol-state/action.js +1 -1
- package/lib/commonjs/mol-state/index.js +8 -8
- package/lib/commonjs/mol-state/state/builder.js +2 -2
- package/lib/commonjs/mol-state/state/selection.js +1 -1
- package/lib/commonjs/mol-state/state.js +21 -21
- package/lib/commonjs/mol-state/transform.js +4 -4
- package/lib/commonjs/mol-state/transformer.js +1 -1
- package/lib/commonjs/mol-task/execution/observable.js +5 -5
- package/lib/commonjs/mol-task/task.js +3 -3
- package/lib/commonjs/mol-task/util/chunked.js +2 -2
- package/lib/commonjs/mol-task/util/multistep.js +1 -1
- package/lib/commonjs/mol-task/util/scheduler.d.ts +2 -2
- package/lib/commonjs/mol-task/util/scheduler.js +8 -8
- package/lib/commonjs/mol-theme/color/atom-id.js +1 -1
- package/lib/commonjs/mol-theme/color/chain-id.js +1 -1
- package/lib/commonjs/mol-theme/color/element-index.js +1 -1
- package/lib/commonjs/mol-theme/color/entity-id.js +1 -1
- package/lib/commonjs/mol-theme/color/entity-source.js +2 -2
- package/lib/commonjs/mol-theme/color/hydrophobicity.js +2 -2
- package/lib/commonjs/mol-theme/color/model-index.js +1 -1
- package/lib/commonjs/mol-theme/color/operator-hkl.js +2 -2
- package/lib/commonjs/mol-theme/color/operator-name.js +1 -1
- package/lib/commonjs/mol-theme/color/polymer-id.js +2 -2
- package/lib/commonjs/mol-theme/color/polymer-index.js +2 -2
- package/lib/commonjs/mol-theme/color/unit-index.js +2 -2
- package/lib/commonjs/mol-theme/label.js +6 -6
- package/lib/commonjs/mol-theme/theme.js +3 -3
- package/lib/commonjs/mol-util/assets.js +7 -7
- package/lib/commonjs/mol-util/color/distinct.js +1 -1
- package/lib/commonjs/mol-util/color/palette.js +3 -3
- package/lib/commonjs/mol-util/color/scale.js +2 -2
- package/lib/commonjs/mol-util/data-source.js +14 -13
- package/lib/commonjs/mol-util/file-info.d.ts +1 -3
- package/lib/commonjs/mol-util/file-info.js +2 -10
- package/lib/commonjs/mol-util/graphql-client.js +4 -4
- package/lib/commonjs/mol-util/index.d.ts +1 -0
- package/lib/commonjs/mol-util/index.js +8 -2
- package/lib/commonjs/mol-util/input/input-observer.js +6 -6
- package/lib/commonjs/mol-util/make-dir.js +1 -1
- package/lib/commonjs/mol-util/material.js +2 -2
- package/lib/commonjs/mol-util/monadic-parser.js +2 -2
- package/lib/commonjs/mol-util/param-definition.js +7 -7
- package/lib/commonjs/mol-util/read.js +2 -2
- package/lib/commonjs/mol-util/retry-if.js +2 -2
- package/lib/commonjs/mol-util/string.js +1 -1
- package/lib/commonjs/mol-util/zip/deflate.js +4 -3
- package/lib/commonjs/mol-util/zip/inflate.js +2 -2
- package/lib/commonjs/mol-util/zip/zip.d.ts +7 -1
- package/lib/commonjs/mol-util/zip/zip.js +21 -16
- package/lib/commonjs/servers/common/file-handle.js +1 -1
- package/lib/commonjs/servers/common/swagger-ui/index.js +1 -1
- package/lib/commonjs/servers/model/config.d.ts +2 -2
- package/lib/commonjs/servers/model/config.js +5 -5
- package/lib/commonjs/servers/model/preprocess/converter.js +2 -2
- package/lib/commonjs/servers/model/preprocess/master.js +3 -3
- package/lib/commonjs/servers/model/preprocess/parallel.js +6 -6
- package/lib/commonjs/servers/model/preprocess/preprocess.js +4 -4
- package/lib/commonjs/servers/model/preprocess.js +1 -1
- package/lib/commonjs/servers/model/properties/providers/pdbe.js +8 -8
- package/lib/commonjs/servers/model/properties/providers/wwpdb.js +12 -12
- package/lib/commonjs/servers/model/property-provider.js +3 -3
- package/lib/commonjs/servers/model/query.js +1 -1
- package/lib/commonjs/servers/model/server/api-local.js +2 -2
- package/lib/commonjs/servers/model/server/api-schema.js +2 -2
- package/lib/commonjs/servers/model/server/api-web.js +5 -5
- package/lib/commonjs/servers/model/server/api.js +6 -6
- package/lib/commonjs/servers/model/server/query.js +15 -15
- package/lib/commonjs/servers/model/server/structure-wrapper.js +21 -21
- package/lib/commonjs/servers/model/server.js +2 -2
- package/lib/commonjs/servers/model/utils/fetch-props-pdbe.js +6 -6
- package/lib/commonjs/servers/model/utils/fetch-retry.js +3 -3
- package/lib/commonjs/servers/model/utils/writer.js +3 -3
- package/lib/commonjs/servers/plugin-state/config.js +1 -1
- package/lib/commonjs/servers/plugin-state/index.js +6 -6
- package/lib/commonjs/servers/volume/common/binary-schema.js +1 -1
- package/lib/commonjs/servers/volume/common/data-format.js +3 -3
- package/lib/commonjs/servers/volume/common/file.js +8 -8
- package/lib/commonjs/servers/volume/config.js +6 -6
- package/lib/commonjs/servers/volume/pack/format/ccp4.js +4 -4
- package/lib/commonjs/servers/volume/pack/format/dsn6.js +4 -4
- package/lib/commonjs/servers/volume/pack/format.js +3 -3
- package/lib/commonjs/servers/volume/pack/main.js +13 -13
- package/lib/commonjs/servers/volume/pack/sampling.js +13 -13
- package/lib/commonjs/servers/volume/pack/writer.js +2 -2
- package/lib/commonjs/servers/volume/pack.js +1 -1
- package/lib/commonjs/servers/volume/query.js +4 -4
- package/lib/commonjs/servers/volume/server/algebra/box.js +1 -1
- package/lib/commonjs/servers/volume/server/api.js +8 -8
- package/lib/commonjs/servers/volume/server/local-api.js +8 -8
- package/lib/commonjs/servers/volume/server/query/compose.js +8 -8
- package/lib/commonjs/servers/volume/server/query/execute.js +10 -10
- package/lib/commonjs/servers/volume/server/query/identify.js +2 -2
- package/lib/commonjs/servers/volume/server/web-api.js +7 -7
- package/lib/commonjs/servers/volume/server.js +2 -2
- package/lib/examples/alpha-orbitals/controls.js +2 -2
- package/lib/examples/alpha-orbitals/index.html +61 -61
- package/lib/examples/alpha-orbitals/index.js +1 -1
- package/lib/examples/basic-wrapper/controls.js +1 -1
- package/lib/examples/basic-wrapper/index.html +137 -137
- package/lib/examples/basic-wrapper/index.js +1 -1
- package/lib/examples/lighting/index.html +88 -88
- package/lib/examples/lighting/index.js +1 -1
- package/lib/examples/proteopedia-wrapper/index.html +236 -236
- package/lib/examples/proteopedia-wrapper/index.js +1 -1
- package/lib/examples/proteopedia-wrapper/ui/controls.js +1 -1
- package/lib/extensions/anvil/behavior.d.ts +1 -0
- package/lib/extensions/anvil/representation.d.ts +4 -0
- package/lib/extensions/cellpack/model.js +4 -2
- package/lib/extensions/cellpack/representation.d.ts +1 -0
- package/lib/extensions/cellpack/state.js +2 -2
- package/lib/extensions/dnatco/confal-pyramids/color.d.ts +397 -2
- package/lib/extensions/dnatco/confal-pyramids/color.js +224 -132
- package/lib/extensions/dnatco/confal-pyramids/property.js +1 -3
- package/lib/extensions/dnatco/confal-pyramids/representation.d.ts +3 -0
- package/lib/extensions/dnatco/confal-pyramids/util.js +19 -20
- package/lib/extensions/geo-export/ui.js +2 -2
- package/lib/extensions/model-export/ui.js +2 -2
- package/lib/extensions/mp4-export/ui.js +2 -2
- package/lib/extensions/rcsb/assembly-symmetry/behavior.d.ts +1 -0
- package/lib/extensions/rcsb/assembly-symmetry/representation.d.ts +1 -0
- package/lib/extensions/rcsb/assembly-symmetry/ui.js +3 -3
- package/lib/extensions/rcsb/validation-report/representation.d.ts +5 -0
- 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/canvas3d.d.ts +2 -0
- package/lib/mol-canvas3d/helper/camera-helper.d.ts +1 -0
- package/lib/mol-canvas3d/helper/camera-helper.js +1 -1
- package/lib/mol-canvas3d/helper/handle-helper.d.ts +1 -0
- package/lib/mol-canvas3d/helper/handle-helper.js +1 -1
- package/lib/mol-canvas3d/helper/helper.d.ts +2 -0
- package/lib/mol-canvas3d/helper/interaction-events.js +1 -1
- package/lib/mol-canvas3d/passes/image.d.ts +1 -0
- package/lib/mol-data/db/column.d.ts +10 -3
- package/lib/mol-data/db/column.js +39 -18
- package/lib/mol-geo/geometry/cylinders/cylinders.d.ts +4 -2
- package/lib/mol-geo/geometry/cylinders/cylinders.js +2 -2
- package/lib/mol-geo/geometry/lines/lines.d.ts +0 -1
- package/lib/mol-geo/geometry/mesh/color-smoothing.d.ts +1 -1
- package/lib/mol-geo/geometry/mesh/color-smoothing.js +5 -3
- package/lib/mol-geo/geometry/mesh/mesh.d.ts +2 -1
- package/lib/mol-geo/geometry/mesh/mesh.js +2 -2
- package/lib/mol-geo/geometry/points/points.d.ts +1 -1
- package/lib/mol-geo/geometry/spheres/spheres.d.ts +2 -1
- package/lib/mol-geo/geometry/spheres/spheres.js +2 -2
- package/lib/mol-geo/geometry/text/text-builder.js +2 -1
- package/lib/mol-geo/geometry/texture-mesh/color-smoothing.d.ts +1 -1
- package/lib/mol-geo/geometry/texture-mesh/color-smoothing.js +6 -4
- package/lib/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +2 -1
- package/lib/mol-geo/geometry/texture-mesh/texture-mesh.js +2 -2
- package/lib/mol-gl/shader/chunks/wboit-write.glsl.d.ts +2 -2
- package/lib/mol-gl/shader/chunks/wboit-write.glsl.js +2 -2
- package/lib/mol-gl/shader/direct-volume.frag.d.ts +1 -1
- package/lib/mol-gl/shader/direct-volume.frag.js +1 -1
- package/lib/mol-gl/shader/image.frag.d.ts +2 -2
- package/lib/mol-gl/shader/image.frag.js +2 -2
- package/lib/mol-gl/shader/lines.frag.d.ts +2 -2
- package/lib/mol-gl/shader/lines.frag.js +2 -2
- package/lib/mol-gl/shader/points.frag.d.ts +2 -2
- package/lib/mol-gl/shader/points.frag.js +2 -2
- package/lib/mol-gl/shader/text.frag.d.ts +2 -2
- package/lib/mol-gl/shader/text.frag.js +2 -2
- package/lib/mol-gl/shader-code.js +2 -1
- package/lib/mol-gl/webgl/buffer.d.ts +2 -2
- package/lib/mol-gl/webgl/buffer.js +14 -15
- package/lib/mol-gl/webgl/context.d.ts +1 -1
- package/lib/mol-gl/webgl/context.js +2 -2
- package/lib/mol-gl/webgl/program.d.ts +1 -1
- package/lib/mol-gl/webgl/program.js +10 -4
- 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/bird.d.ts +8 -8
- package/lib/mol-io/reader/cif/schema/bird.js +12 -11
- package/lib/mol-io/reader/cif/schema/ccd-extras.d.ts +1 -1
- package/lib/mol-io/reader/cif/schema/ccd.d.ts +12 -12
- package/lib/mol-io/reader/cif/schema/ccd.js +13 -12
- package/lib/mol-io/reader/cif/schema/mmcif-extras.d.ts +5 -5
- package/lib/mol-io/reader/cif/schema/mmcif-extras.js +2 -2
- package/lib/mol-io/reader/cif/schema/mmcif.d.ts +31 -27
- package/lib/mol-io/reader/cif/schema/mmcif.js +44 -39
- package/lib/mol-io/reader/cif/schema.d.ts +1 -1
- package/lib/mol-io/reader/cif/schema.js +22 -2
- 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-io/writer/mol/encoder.js +1 -1
- package/lib/mol-math/geometry/common.d.ts +2 -1
- package/lib/mol-math/geometry/common.js +1 -1
- package/lib/mol-math/geometry/gaussian-density/cpu.d.ts +1 -1
- package/lib/mol-math/geometry/gaussian-density/cpu.js +2 -2
- package/lib/mol-math/geometry/gaussian-density/gpu.d.ts +1 -1
- package/lib/mol-math/geometry/gaussian-density/gpu.js +7 -7
- package/lib/mol-math/geometry/gaussian-density.d.ts +2 -2
- package/lib/mol-math/geometry/gaussian-density.js +1 -1
- package/lib/mol-math/geometry/molecular-surface.d.ts +2 -1
- package/lib/mol-math/geometry/molecular-surface.js +2 -2
- package/lib/mol-math/geometry/primitives/box3d.js +2 -1
- package/lib/mol-math/geometry/primitives/sphere3d.js +12 -6
- package/lib/mol-model/sequence/sequence.js +2 -1
- package/lib/mol-model/structure/model/model.js +14 -6
- package/lib/mol-model/structure/model/properties/common.js +1 -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/model/types.d.ts +19 -17
- package/lib/mol-model/structure/model/types.js +30 -31
- package/lib/mol-model/structure/query/queries/generators.js +1 -1
- package/lib/mol-model/structure/structure/carbohydrates/constants.d.ts +1 -1
- package/lib/mol-model/structure/structure/carbohydrates/constants.js +6 -9
- package/lib/mol-model/structure/structure/properties.d.ts +1 -1
- package/lib/mol-model/structure/structure/unit/bonds/inter-compute.js +2 -4
- package/lib/mol-model/structure/structure/unit/bonds/intra-compute.js +1 -3
- package/lib/mol-model/structure/structure/unit/rings.js +3 -0
- package/lib/mol-model-formats/shape/ply.d.ts +2 -0
- 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/entities.js +1 -1
- 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 +4 -4
- 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.d.ts +3 -3
- package/lib/mol-model-formats/structure/common/component.js +51 -47
- 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/atom-site.d.ts +2 -2
- package/lib/mol-model-formats/structure/pdb/atom-site.js +72 -7
- package/lib/mol-model-formats/structure/pdb/secondary-structure.js +11 -11
- package/lib/mol-model-formats/structure/pdb/to-cif.js +7 -2
- package/lib/mol-model-formats/structure/pdb.d.ts +1 -1
- package/lib/mol-model-formats/structure/pdb.js +5 -3
- package/lib/mol-model-formats/structure/prmtop.d.ts +16 -0
- package/lib/mol-model-formats/structure/prmtop.js +144 -0
- package/lib/mol-model-formats/structure/property/bonds/chem_comp.js +1 -1
- package/lib/mol-model-formats/structure/property/bonds/struct_conn.js +1 -1
- package/lib/mol-model-formats/structure/property/symmetry.js +11 -1
- package/lib/mol-model-formats/structure/psf.js +3 -1
- package/lib/mol-model-formats/structure/top.d.ts +16 -0
- package/lib/mol-model-formats/structure/top.js +186 -0
- package/lib/mol-model-formats/structure/trr.d.ts +9 -0
- package/lib/mol-model-formats/structure/trr.js +42 -0
- package/lib/mol-model-formats/structure/util.d.ts +2 -2
- package/lib/mol-model-formats/structure/util.js +19 -20
- package/lib/mol-model-formats/structure/xyz.js +2 -2
- package/lib/mol-model-props/computed/representations/interactions-inter-unit-cylinder.d.ts +1 -0
- package/lib/mol-model-props/computed/representations/interactions-intra-unit-cylinder.d.ts +1 -0
- package/lib/mol-model-props/computed/representations/interactions.d.ts +3 -0
- package/lib/mol-model-props/integrative/cross-link-restraint/representation.d.ts +4 -0
- package/lib/mol-plugin/behavior/dynamic/volume-streaming/model.d.ts +2 -3
- package/lib/mol-plugin/behavior/dynamic/volume-streaming/util.js +3 -2
- package/lib/mol-plugin/commands.d.ts +1 -0
- package/lib/mol-plugin/context.d.ts +2 -1
- package/lib/mol-plugin/context.js +4 -3
- package/lib/mol-plugin/spec.js +1 -1
- package/lib/mol-plugin/util/viewport-screenshot.d.ts +3 -0
- package/lib/mol-plugin/version.js +2 -2
- package/lib/mol-plugin-state/actions/file.d.ts +1 -1
- package/lib/mol-plugin-state/actions/file.js +88 -55
- package/lib/mol-plugin-state/actions/structure.d.ts +17 -8
- package/lib/mol-plugin-state/actions/structure.js +174 -4
- package/lib/mol-plugin-state/actions/volume.js +3 -2
- package/lib/mol-plugin-state/formats/{structure.d.ts → coordinates.d.ts} +34 -18
- package/lib/mol-plugin-state/formats/coordinates.js +67 -0
- package/lib/mol-plugin-state/formats/registry.d.ts +3 -3
- package/lib/mol-plugin-state/formats/registry.js +13 -8
- package/lib/mol-plugin-state/formats/topology.d.ts +73 -0
- package/lib/mol-plugin-state/formats/topology.js +84 -0
- package/lib/mol-plugin-state/helpers/structure-component.js +2 -1
- package/lib/mol-plugin-state/helpers/structure-selection-query.d.ts +1 -1
- package/lib/mol-plugin-state/helpers/structure-selection-query.js +1 -1
- package/lib/mol-plugin-state/manager/snapshots.js +4 -4
- package/lib/mol-plugin-state/objects.d.ts +47 -1
- package/lib/mol-plugin-state/objects.js +17 -1
- package/lib/mol-plugin-state/transforms/data.d.ts +6 -0
- package/lib/mol-plugin-state/transforms/data.js +61 -9
- package/lib/mol-plugin-state/transforms/model.d.ts +14 -2
- package/lib/mol-plugin-state/transforms/model.js +112 -3
- package/lib/mol-plugin-state/transforms/representation.d.ts +6 -0
- package/lib/mol-plugin-ui/base.js +1 -1
- package/lib/mol-plugin-ui/controls/action-menu.js +7 -7
- package/lib/mol-plugin-ui/controls/color.js +3 -3
- package/lib/mol-plugin-ui/controls/common.js +10 -10
- package/lib/mol-plugin-ui/controls/icons.js +70 -70
- package/lib/mol-plugin-ui/controls/legend.js +3 -3
- package/lib/mol-plugin-ui/controls/line-graph/line-graph-component.js +1 -1
- package/lib/mol-plugin-ui/controls/parameters.js +51 -51
- package/lib/mol-plugin-ui/controls/screenshot.js +2 -2
- package/lib/mol-plugin-ui/controls/slider.js +5 -5
- package/lib/mol-plugin-ui/controls.js +7 -7
- package/lib/mol-plugin-ui/custom/volume.js +4 -4
- package/lib/mol-plugin-ui/left-panel.d.ts +8 -1
- package/lib/mol-plugin-ui/left-panel.js +33 -12
- package/lib/mol-plugin-ui/plugin.js +10 -10
- package/lib/mol-plugin-ui/react18.d.ts +11 -0
- package/lib/mol-plugin-ui/react18.js +34 -0
- package/lib/mol-plugin-ui/sequence/sequence.js +1 -1
- package/lib/mol-plugin-ui/sequence.js +5 -5
- package/lib/mol-plugin-ui/skin/base/base.scss +32 -32
- package/lib/mol-plugin-ui/skin/base/components/controls-base.scss +333 -333
- package/lib/mol-plugin-ui/skin/base/components/controls.scss +418 -418
- package/lib/mol-plugin-ui/skin/base/components/help.scss +27 -27
- package/lib/mol-plugin-ui/skin/base/components/line-graph.scss +67 -67
- package/lib/mol-plugin-ui/skin/base/components/log.scss +100 -100
- package/lib/mol-plugin-ui/skin/base/components/misc.scss +643 -643
- package/lib/mol-plugin-ui/skin/base/components/sequence.scss +125 -125
- package/lib/mol-plugin-ui/skin/base/components/slider.scss +165 -165
- package/lib/mol-plugin-ui/skin/base/components/tasks.scss +99 -99
- package/lib/mol-plugin-ui/skin/base/components/toast.scss +83 -83
- package/lib/mol-plugin-ui/skin/base/components/transformer.scss +163 -163
- package/lib/mol-plugin-ui/skin/base/components/viewport.scss +128 -128
- package/lib/mol-plugin-ui/skin/base/layout/common.scss +71 -71
- package/lib/mol-plugin-ui/skin/base/layout/controls-landscape.scss +89 -89
- package/lib/mol-plugin-ui/skin/base/layout/controls-outside.scss +98 -98
- package/lib/mol-plugin-ui/skin/base/layout/controls-portrait.scss +108 -108
- package/lib/mol-plugin-ui/skin/base/layout.scss +40 -40
- package/lib/mol-plugin-ui/skin/base/logo.scss +12 -12
- package/lib/mol-plugin-ui/skin/base/normalize.scss +209 -209
- package/lib/mol-plugin-ui/skin/base/ui.scss +40 -40
- package/lib/mol-plugin-ui/skin/base/variables.scss +85 -85
- package/lib/mol-plugin-ui/skin/blue.scss +1 -1
- package/lib/mol-plugin-ui/skin/colors/blue.scss +23 -23
- package/lib/mol-plugin-ui/skin/colors/dark.scss +23 -23
- package/lib/mol-plugin-ui/skin/colors/light.scss +29 -29
- package/lib/mol-plugin-ui/skin/dark.scss +1 -1
- package/lib/mol-plugin-ui/skin/light.scss +1 -1
- package/lib/mol-plugin-ui/state/actions.js +1 -1
- package/lib/mol-plugin-ui/state/animation.js +1 -1
- package/lib/mol-plugin-ui/state/common.js +7 -7
- package/lib/mol-plugin-ui/state/snapshots.js +9 -9
- package/lib/mol-plugin-ui/state/tree.js +14 -14
- package/lib/mol-plugin-ui/state/update-transform.js +1 -1
- package/lib/mol-plugin-ui/structure/components.js +10 -10
- package/lib/mol-plugin-ui/structure/focus.d.ts +1 -1
- package/lib/mol-plugin-ui/structure/focus.js +3 -3
- package/lib/mol-plugin-ui/structure/generic.js +4 -4
- package/lib/mol-plugin-ui/structure/measurements.js +8 -8
- package/lib/mol-plugin-ui/structure/quick-styles.js +2 -2
- package/lib/mol-plugin-ui/structure/selection.js +7 -7
- package/lib/mol-plugin-ui/structure/source.js +4 -4
- package/lib/mol-plugin-ui/structure/superposition.js +8 -8
- package/lib/mol-plugin-ui/structure/volume.js +4 -4
- package/lib/mol-plugin-ui/task.js +5 -5
- package/lib/mol-plugin-ui/toast.js +4 -4
- package/lib/mol-plugin-ui/viewport/canvas.js +3 -3
- package/lib/mol-plugin-ui/viewport/help.js +8 -8
- package/lib/mol-plugin-ui/viewport/screenshot.js +3 -3
- package/lib/mol-plugin-ui/viewport/simple-settings.js +1 -1
- package/lib/mol-plugin-ui/viewport.js +4 -4
- package/lib/mol-repr/shape/loci/angle.d.ts +1 -0
- package/lib/mol-repr/shape/loci/dihedral.d.ts +1 -0
- package/lib/mol-repr/shape/loci/orientation.d.ts +1 -0
- package/lib/mol-repr/shape/loci/plane.d.ts +1 -0
- package/lib/mol-repr/shape/model/unitcell.d.ts +1 -0
- package/lib/mol-repr/structure/complex-visual.d.ts +3 -0
- package/lib/mol-repr/structure/params.d.ts +4 -0
- package/lib/mol-repr/structure/registry.d.ts +10 -0
- package/lib/mol-repr/structure/representation/backbone.d.ts +3 -0
- package/lib/mol-repr/structure/representation/ball-and-stick.d.ts +3 -0
- package/lib/mol-repr/structure/representation/carbohydrate.d.ts +3 -0
- package/lib/mol-repr/structure/representation/cartoon.d.ts +3 -0
- package/lib/mol-repr/structure/representation/ellipsoid.d.ts +3 -0
- package/lib/mol-repr/structure/representation/gaussian-surface.d.ts +3 -0
- package/lib/mol-repr/structure/representation/molecular-surface.d.ts +3 -0
- package/lib/mol-repr/structure/representation/orientation.d.ts +3 -0
- package/lib/mol-repr/structure/representation/putty.d.ts +3 -0
- package/lib/mol-repr/structure/representation/spacefill.d.ts +3 -0
- package/lib/mol-repr/structure/units-visual.d.ts +4 -0
- package/lib/mol-repr/structure/visual/bond-inter-unit-cylinder.d.ts +2 -0
- package/lib/mol-repr/structure/visual/bond-intra-unit-cylinder.d.ts +2 -0
- package/lib/mol-repr/structure/visual/carbohydrate-link-cylinder.d.ts +1 -0
- package/lib/mol-repr/structure/visual/carbohydrate-symbol-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.d.ts +1 -0
- package/lib/mol-repr/structure/visual/element-sphere.d.ts +2 -0
- package/lib/mol-repr/structure/visual/ellipsoid-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/gaussian-density-volume.js +2 -3
- package/lib/mol-repr/structure/visual/gaussian-surface-mesh.d.ts +5 -1
- package/lib/mol-repr/structure/visual/gaussian-surface-mesh.js +10 -10
- package/lib/mol-repr/structure/visual/gaussian-surface-wireframe.d.ts +1 -1
- package/lib/mol-repr/structure/visual/gaussian-surface-wireframe.js +4 -5
- package/lib/mol-repr/structure/visual/molecular-surface-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/molecular-surface-mesh.js +4 -4
- package/lib/mol-repr/structure/visual/molecular-surface-wireframe.d.ts +1 -1
- package/lib/mol-repr/structure/visual/molecular-surface-wireframe.js +5 -5
- package/lib/mol-repr/structure/visual/nucleotide-block-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/nucleotide-ring-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/orientation-ellipsoid-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/polymer-backbone-cylinder.d.ts +2 -0
- package/lib/mol-repr/structure/visual/polymer-backbone-sphere.d.ts +2 -0
- package/lib/mol-repr/structure/visual/polymer-direction-wedge.d.ts +1 -0
- package/lib/mol-repr/structure/visual/polymer-gap-cylinder.d.ts +1 -0
- package/lib/mol-repr/structure/visual/polymer-trace-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/polymer-tube-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/util/common.d.ts +1 -3
- package/lib/mol-repr/structure/visual/util/common.js +1 -24
- package/lib/mol-repr/util.d.ts +2 -1
- package/lib/mol-repr/util.js +2 -2
- package/lib/mol-repr/volume/isosurface.d.ts +5 -0
- package/lib/mol-repr/volume/registry.d.ts +1 -0
- package/lib/mol-script/language/builder.d.ts +1 -0
- package/lib/mol-script/language/parser.js +7 -4
- package/lib/mol-task/util/scheduler.d.ts +2 -2
- package/lib/mol-task/util/scheduler.js +7 -7
- package/lib/mol-theme/color/hydrophobicity.js +2 -2
- package/lib/mol-util/data-source.js +2 -1
- package/lib/mol-util/file-info.d.ts +1 -3
- package/lib/mol-util/file-info.js +2 -10
- package/lib/mol-util/index.d.ts +1 -0
- package/lib/mol-util/index.js +5 -0
- package/lib/mol-util/zip/deflate.js +2 -1
- package/lib/mol-util/zip/zip.d.ts +7 -1
- package/lib/mol-util/zip/zip.js +5 -1
- package/lib/servers/model/config.d.ts +2 -2
- package/package.json +162 -160
- package/lib/commonjs/mol-plugin-state/formats/structure.js +0 -64
- package/lib/mol-plugin-state/formats/structure.js +0 -61
|
@@ -7,7 +7,7 @@
|
|
|
7
7
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
8
8
|
exports.fetchRetry = void 0;
|
|
9
9
|
var tslib_1 = require("tslib");
|
|
10
|
-
var node_fetch_1 =
|
|
10
|
+
var node_fetch_1 = tslib_1.__importDefault(require("node-fetch"));
|
|
11
11
|
var retry_if_1 = require("../../../mol-util/retry-if");
|
|
12
12
|
var RETRIABLE_NETWORK_ERRORS = [
|
|
13
13
|
'ECONNRESET', 'ENOTFOUND', 'ESOCKETTIMEDOUT', 'ETIMEDOUT',
|
|
@@ -17,9 +17,9 @@ function isRetriableNetworkError(error) {
|
|
|
17
17
|
return error && RETRIABLE_NETWORK_ERRORS.includes(error.code);
|
|
18
18
|
}
|
|
19
19
|
function fetchRetry(url, timeout, retryCount, onRetry) {
|
|
20
|
-
return
|
|
20
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
21
21
|
var controller, id, result;
|
|
22
|
-
return
|
|
22
|
+
return tslib_1.__generator(this, function (_a) {
|
|
23
23
|
switch (_a.label) {
|
|
24
24
|
case 0:
|
|
25
25
|
controller = new AbortController();
|
|
@@ -7,11 +7,11 @@
|
|
|
7
7
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
8
8
|
exports.TarballFileResultWriter = exports.FileResultWriter = exports.TarballResponseResultWriter = exports.SimpleResponseResultWriter = void 0;
|
|
9
9
|
var tslib_1 = require("tslib");
|
|
10
|
-
var fs =
|
|
11
|
-
var path =
|
|
10
|
+
var fs = tslib_1.__importStar(require("fs"));
|
|
11
|
+
var path = tslib_1.__importStar(require("path"));
|
|
12
12
|
var make_dir_1 = require("../../../mol-util/make-dir");
|
|
13
13
|
var tar_1 = require("./tar");
|
|
14
|
-
var zlib =
|
|
14
|
+
var zlib = tslib_1.__importStar(require("zlib"));
|
|
15
15
|
var SimpleResponseResultWriter = /** @class */ (function () {
|
|
16
16
|
function SimpleResponseResultWriter(fn, res, isBinary, isDownload) {
|
|
17
17
|
this.fn = fn;
|
|
@@ -7,7 +7,7 @@
|
|
|
7
7
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
8
8
|
exports.getConfig = void 0;
|
|
9
9
|
var tslib_1 = require("tslib");
|
|
10
|
-
var argparse =
|
|
10
|
+
var argparse = tslib_1.__importStar(require("argparse"));
|
|
11
11
|
function getConfig() {
|
|
12
12
|
var cmdParser = new argparse.ArgumentParser({
|
|
13
13
|
add_help: true
|
|
@@ -6,12 +6,12 @@
|
|
|
6
6
|
*/
|
|
7
7
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
8
8
|
var tslib_1 = require("tslib");
|
|
9
|
-
var express_1 =
|
|
10
|
-
var compression_1 =
|
|
11
|
-
var cors_1 =
|
|
12
|
-
var bodyParser =
|
|
13
|
-
var fs =
|
|
14
|
-
var path =
|
|
9
|
+
var express_1 = tslib_1.__importDefault(require("express"));
|
|
10
|
+
var compression_1 = tslib_1.__importDefault(require("compression"));
|
|
11
|
+
var cors_1 = tslib_1.__importDefault(require("cors"));
|
|
12
|
+
var bodyParser = tslib_1.__importStar(require("body-parser"));
|
|
13
|
+
var fs = tslib_1.__importStar(require("fs"));
|
|
14
|
+
var path = tslib_1.__importStar(require("path"));
|
|
15
15
|
var swagger_ui_1 = require("../common/swagger-ui");
|
|
16
16
|
var make_dir_1 = require("../../mol-util/make-dir");
|
|
17
17
|
var config_1 = require("./config");
|
|
@@ -9,7 +9,7 @@
|
|
|
9
9
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
10
10
|
exports.decode = exports.encode = exports.obj = exports.array = exports.str = exports.float = exports.int = exports.bool = void 0;
|
|
11
11
|
var tslib_1 = require("tslib");
|
|
12
|
-
var UTF8 =
|
|
12
|
+
var UTF8 = tslib_1.__importStar(require("../../../mol-io/common/utf8"));
|
|
13
13
|
exports.bool = { kind: 'bool' };
|
|
14
14
|
exports.int = { kind: 'int' };
|
|
15
15
|
exports.float = { kind: 'float' };
|
|
@@ -9,7 +9,7 @@
|
|
|
9
9
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
10
10
|
exports.readHeader = exports.encodeHeader = void 0;
|
|
11
11
|
var tslib_1 = require("tslib");
|
|
12
|
-
var Schema =
|
|
12
|
+
var Schema = tslib_1.__importStar(require("./binary-schema"));
|
|
13
13
|
var _schema;
|
|
14
14
|
(function (_schema) {
|
|
15
15
|
var array = Schema.array, obj = Schema.obj, int = Schema.int, bool = Schema.bool, float = Schema.float, str = Schema.str;
|
|
@@ -46,9 +46,9 @@ function encodeHeader(header) {
|
|
|
46
46
|
}
|
|
47
47
|
exports.encodeHeader = encodeHeader;
|
|
48
48
|
function readHeader(file) {
|
|
49
|
-
return
|
|
49
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
50
50
|
var buffer, headerSize, header;
|
|
51
|
-
return
|
|
51
|
+
return tslib_1.__generator(this, function (_a) {
|
|
52
52
|
switch (_a.label) {
|
|
53
53
|
case 0: return [4 /*yield*/, file.readBuffer(0, 4 * 4096)];
|
|
54
54
|
case 1:
|
|
@@ -9,16 +9,16 @@
|
|
|
9
9
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
10
10
|
exports.writeInt = exports.createFile = exports.exists = exports.openRead = void 0;
|
|
11
11
|
var tslib_1 = require("tslib");
|
|
12
|
-
var fs =
|
|
13
|
-
var path =
|
|
12
|
+
var fs = tslib_1.__importStar(require("fs"));
|
|
13
|
+
var path = tslib_1.__importStar(require("path"));
|
|
14
14
|
var simple_buffer_1 = require("../../../mol-io/common/simple-buffer");
|
|
15
15
|
function openRead(filename) {
|
|
16
|
-
return
|
|
16
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
17
17
|
var _this = this;
|
|
18
|
-
return
|
|
18
|
+
return tslib_1.__generator(this, function (_a) {
|
|
19
19
|
return [2 /*return*/, new Promise(function (res, rej) {
|
|
20
|
-
fs.open(filename, 'r', function (err, file) { return
|
|
21
|
-
return
|
|
20
|
+
fs.open(filename, 'r', function (err, file) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
|
|
21
|
+
return tslib_1.__generator(this, function (_a) {
|
|
22
22
|
if (err) {
|
|
23
23
|
rej(err);
|
|
24
24
|
return [2 /*return*/];
|
|
@@ -69,8 +69,8 @@ function createFile(filename) {
|
|
|
69
69
|
exports.createFile = createFile;
|
|
70
70
|
var smallBuffer = simple_buffer_1.SimpleBuffer.fromBuffer(Buffer.alloc(8));
|
|
71
71
|
function writeInt(file, value, position) {
|
|
72
|
-
return
|
|
73
|
-
return
|
|
72
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
73
|
+
return tslib_1.__generator(this, function (_a) {
|
|
74
74
|
switch (_a.label) {
|
|
75
75
|
case 0:
|
|
76
76
|
smallBuffer.writeInt32LE(value, 0);
|
|
@@ -8,10 +8,10 @@
|
|
|
8
8
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
9
9
|
exports.configureLocal = exports.configureServer = exports.LimitsConfig = exports.ServerConfig = void 0;
|
|
10
10
|
var tslib_1 = require("tslib");
|
|
11
|
-
var argparse =
|
|
11
|
+
var argparse = tslib_1.__importStar(require("argparse"));
|
|
12
12
|
var type_helpers_1 = require("../../mol-util/type-helpers");
|
|
13
13
|
var version_1 = require("./server/version");
|
|
14
|
-
var fs =
|
|
14
|
+
var fs = tslib_1.__importStar(require("fs"));
|
|
15
15
|
var DefaultServerConfig = {
|
|
16
16
|
apiPrefix: '/VolumeServer',
|
|
17
17
|
defaultPort: 1337,
|
|
@@ -87,7 +87,7 @@ function addJsonConfigArgs(parser) {
|
|
|
87
87
|
parser.add_argument('--printCfg', { help: 'Print current config for validation and exit.', required: false, action: 'store_true' });
|
|
88
88
|
parser.add_argument('--cfgTemplate', { help: 'Prints default JSON config template to be modified and exits.', required: false, action: 'store_true' });
|
|
89
89
|
}
|
|
90
|
-
exports.ServerConfig =
|
|
90
|
+
exports.ServerConfig = tslib_1.__assign({}, DefaultServerConfig);
|
|
91
91
|
function setServerConfig(config) {
|
|
92
92
|
for (var _i = 0, _a = (0, type_helpers_1.ObjectKeys)(exports.ServerConfig); _i < _a.length; _i++) {
|
|
93
93
|
var k = _a[_i];
|
|
@@ -113,7 +113,7 @@ var DefaultLimitsConfig = {
|
|
|
113
113
|
24 * 1024 * 1024
|
|
114
114
|
]
|
|
115
115
|
};
|
|
116
|
-
exports.LimitsConfig =
|
|
116
|
+
exports.LimitsConfig = tslib_1.__assign({}, DefaultLimitsConfig);
|
|
117
117
|
function setLimitsConfig(config) {
|
|
118
118
|
for (var _i = 0, _a = (0, type_helpers_1.ObjectKeys)(exports.LimitsConfig); _i < _a.length; _i++) {
|
|
119
119
|
var k = _a[_i];
|
|
@@ -125,7 +125,7 @@ function setConfig(config) {
|
|
|
125
125
|
setServerConfig(config);
|
|
126
126
|
setLimitsConfig(config);
|
|
127
127
|
}
|
|
128
|
-
var ServerConfigTemplate =
|
|
128
|
+
var ServerConfigTemplate = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, DefaultServerConfig), { idMap: [
|
|
129
129
|
['x-ray', './path-to-xray-data/${id.substr(1, 2)}/${id}.mdb'],
|
|
130
130
|
['em', './path-to-em-data/emd-${id}.mdb']
|
|
131
131
|
] }), DefaultLimitsConfig);
|
|
@@ -150,7 +150,7 @@ function configureServer() {
|
|
|
150
150
|
setConfig(cfg);
|
|
151
151
|
}
|
|
152
152
|
if (config.printCfg) {
|
|
153
|
-
console.log(JSON.stringify(
|
|
153
|
+
console.log(JSON.stringify(tslib_1.__assign(tslib_1.__assign({}, exports.ServerConfig), exports.LimitsConfig), null, 2));
|
|
154
154
|
process.exit(0);
|
|
155
155
|
}
|
|
156
156
|
validateServerConfig();
|
|
@@ -11,9 +11,9 @@ var tslib_1 = require("tslib");
|
|
|
11
11
|
var parser_1 = require("../../../../mol-io/reader/ccp4/parser");
|
|
12
12
|
var ccp4_1 = require("../../../../mol-model-formats/volume/ccp4");
|
|
13
13
|
function readHeader(name, file) {
|
|
14
|
-
return
|
|
14
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
15
15
|
var _a, ccp4Header, littleEndian, header;
|
|
16
|
-
return
|
|
16
|
+
return tslib_1.__generator(this, function (_b) {
|
|
17
17
|
switch (_b.label) {
|
|
18
18
|
case 0: return [4 /*yield*/, (0, parser_1.readCcp4Header)(file)];
|
|
19
19
|
case 1:
|
|
@@ -40,9 +40,9 @@ function readHeader(name, file) {
|
|
|
40
40
|
});
|
|
41
41
|
}
|
|
42
42
|
function readSlices(data) {
|
|
43
|
-
return
|
|
43
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
44
44
|
var slices, header, extent, originalHeader, sliceSize, sliceByteOffset, sliceCount, sliceByteCount;
|
|
45
|
-
return
|
|
45
|
+
return tslib_1.__generator(this, function (_a) {
|
|
46
46
|
switch (_a.label) {
|
|
47
47
|
case 0:
|
|
48
48
|
slices = data.slices, header = data.header;
|
|
@@ -10,9 +10,9 @@ var tslib_1 = require("tslib");
|
|
|
10
10
|
var parser_1 = require("../../../../mol-io/reader/dsn6/parser");
|
|
11
11
|
var typed_array_1 = require("../../../../mol-io/common/typed-array");
|
|
12
12
|
function readHeader(name, file) {
|
|
13
|
-
return
|
|
13
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
14
14
|
var _a, dsn6Header, littleEndian, header;
|
|
15
|
-
return
|
|
15
|
+
return tslib_1.__generator(this, function (_b) {
|
|
16
16
|
switch (_b.label) {
|
|
17
17
|
case 0: return [4 /*yield*/, (0, parser_1.readDsn6Header)(file)];
|
|
18
18
|
case 1:
|
|
@@ -37,9 +37,9 @@ function readHeader(name, file) {
|
|
|
37
37
|
});
|
|
38
38
|
}
|
|
39
39
|
function readSlices(data) {
|
|
40
|
-
return
|
|
40
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
41
41
|
var slices, header, file, extent, dataOffset, originalHeader, sliceCount, byteCount, buffer;
|
|
42
|
-
return
|
|
42
|
+
return tslib_1.__generator(this, function (_a) {
|
|
43
43
|
switch (_a.label) {
|
|
44
44
|
case 0:
|
|
45
45
|
slices = data.slices, header = data.header, file = data.file;
|
|
@@ -8,7 +8,7 @@
|
|
|
8
8
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
9
9
|
exports.open = exports.getProviderFromType = exports.compareHeaders = exports.assignSliceBuffer = void 0;
|
|
10
10
|
var tslib_1 = require("tslib");
|
|
11
|
-
var File =
|
|
11
|
+
var File = tslib_1.__importStar(require("../common/file"));
|
|
12
12
|
var ccp4_1 = require("./format/ccp4");
|
|
13
13
|
var typed_array_1 = require("../../../mol-io/common/typed-array");
|
|
14
14
|
var dsn6_1 = require("./format/dsn6");
|
|
@@ -59,9 +59,9 @@ function getProviderFromType(type) {
|
|
|
59
59
|
}
|
|
60
60
|
exports.getProviderFromType = getProviderFromType;
|
|
61
61
|
function open(name, filename, type) {
|
|
62
|
-
return
|
|
62
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
63
63
|
var provider, descriptor, file, header, data;
|
|
64
|
-
return
|
|
64
|
+
return tslib_1.__generator(this, function (_a) {
|
|
65
65
|
switch (_a.label) {
|
|
66
66
|
case 0:
|
|
67
67
|
provider = getProviderFromType(type);
|
|
@@ -9,15 +9,15 @@
|
|
|
9
9
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
10
10
|
exports.pack = void 0;
|
|
11
11
|
var tslib_1 = require("tslib");
|
|
12
|
-
var Format =
|
|
13
|
-
var File =
|
|
14
|
-
var Data =
|
|
15
|
-
var Sampling =
|
|
16
|
-
var DataFormat =
|
|
12
|
+
var Format = tslib_1.__importStar(require("./format"));
|
|
13
|
+
var File = tslib_1.__importStar(require("../common/file"));
|
|
14
|
+
var Data = tslib_1.__importStar(require("./data-model"));
|
|
15
|
+
var Sampling = tslib_1.__importStar(require("./sampling"));
|
|
16
|
+
var DataFormat = tslib_1.__importStar(require("../common/data-format"));
|
|
17
17
|
function pack(input, blockSizeInMB, isPeriodic, outputFilename, format) {
|
|
18
|
-
return
|
|
18
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
19
19
|
var e_1;
|
|
20
|
-
return
|
|
20
|
+
return tslib_1.__generator(this, function (_a) {
|
|
21
21
|
switch (_a.label) {
|
|
22
22
|
case 0:
|
|
23
23
|
_a.trys.push([0, 2, , 3]);
|
|
@@ -51,9 +51,9 @@ function updateAllocationProgress(progress, progressDone) {
|
|
|
51
51
|
* Pre allocate the disk space to be able to do "random" writes into the entire file.
|
|
52
52
|
*/
|
|
53
53
|
function allocateFile(ctx) {
|
|
54
|
-
return
|
|
54
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
55
55
|
var totalByteSize, file, buffer, progress, written;
|
|
56
|
-
return
|
|
56
|
+
return tslib_1.__generator(this, function (_a) {
|
|
57
57
|
totalByteSize = ctx.totalByteSize, file = ctx.file;
|
|
58
58
|
buffer = Buffer.alloc(Math.min(totalByteSize, 8 * 1024 * 1024));
|
|
59
59
|
progress = { current: 0, max: Math.ceil(totalByteSize / buffer.byteLength) };
|
|
@@ -80,9 +80,9 @@ function determineBlockSize(data, blockSizeInMB) {
|
|
|
80
80
|
throw new Error('Could not determine a valid block size.');
|
|
81
81
|
}
|
|
82
82
|
function writeHeader(ctx) {
|
|
83
|
-
return
|
|
83
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
84
84
|
var header;
|
|
85
|
-
return
|
|
85
|
+
return tslib_1.__generator(this, function (_a) {
|
|
86
86
|
switch (_a.label) {
|
|
87
87
|
case 0:
|
|
88
88
|
header = DataFormat.encodeHeader(Data.createHeader(ctx));
|
|
@@ -98,9 +98,9 @@ function writeHeader(ctx) {
|
|
|
98
98
|
});
|
|
99
99
|
}
|
|
100
100
|
function create(filename, sourceDensities, sourceBlockSizeInMB, isPeriodic, format) {
|
|
101
|
-
return
|
|
101
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
102
102
|
var startedTime, files, channels_3, _i, sourceDensities_1, s, _a, _b, isOk, blockSizeInMB, _c, channels_1, ch, context, _d, channels_2, s, time, _e, files_1, f;
|
|
103
|
-
return
|
|
103
|
+
return tslib_1.__generator(this, function (_f) {
|
|
104
104
|
switch (_f.label) {
|
|
105
105
|
case 0:
|
|
106
106
|
startedTime = getTime();
|
|
@@ -9,19 +9,19 @@
|
|
|
9
9
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
10
10
|
exports.processData = exports.createContext = void 0;
|
|
11
11
|
var tslib_1 = require("tslib");
|
|
12
|
-
var Data =
|
|
13
|
-
var File =
|
|
14
|
-
var Downsampling =
|
|
15
|
-
var Writer =
|
|
16
|
-
var DataFormat =
|
|
12
|
+
var Data = tslib_1.__importStar(require("./data-model"));
|
|
13
|
+
var File = tslib_1.__importStar(require("../common/file"));
|
|
14
|
+
var Downsampling = tslib_1.__importStar(require("./downsampling"));
|
|
15
|
+
var Writer = tslib_1.__importStar(require("./writer"));
|
|
16
|
+
var DataFormat = tslib_1.__importStar(require("../common/data-format"));
|
|
17
17
|
var typed_array_1 = require("../../../mol-io/common/typed-array");
|
|
18
18
|
var simple_buffer_1 = require("../../../mol-io/common/simple-buffer");
|
|
19
19
|
var file_handle_1 = require("../../common/file-handle");
|
|
20
20
|
function createContext(filename, channels, blockSize, isPeriodic) {
|
|
21
|
-
return
|
|
21
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
22
22
|
var _a, extent, valueType, grid, origin, samplingCounts, cubeBuffer, litteEndianCubeBuffer, ctx, _b, byteOffset, _i, _c, s;
|
|
23
23
|
var _d;
|
|
24
|
-
return
|
|
24
|
+
return tslib_1.__generator(this, function (_e) {
|
|
25
25
|
switch (_e.label) {
|
|
26
26
|
case 0:
|
|
27
27
|
_a = channels[0].data.header, extent = _a.extent, valueType = _a.valueType, grid = _a.grid, origin = _a.origin;
|
|
@@ -68,9 +68,9 @@ function createContext(filename, channels, blockSize, isPeriodic) {
|
|
|
68
68
|
}
|
|
69
69
|
exports.createContext = createContext;
|
|
70
70
|
function processData(ctx) {
|
|
71
|
-
return
|
|
71
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
72
72
|
var channel, _i, _a, src;
|
|
73
|
-
return
|
|
73
|
+
return tslib_1.__generator(this, function (_b) {
|
|
74
74
|
switch (_b.label) {
|
|
75
75
|
case 0:
|
|
76
76
|
channel = ctx.channels[0];
|
|
@@ -213,9 +213,9 @@ function shouldSamplingBeWritten(sampling, blockSize, isDataFinished) {
|
|
|
213
213
|
return sampling.blocks.slicesWritten >= blockSize;
|
|
214
214
|
}
|
|
215
215
|
function writeBlocks(ctx, isDataFinished) {
|
|
216
|
-
return
|
|
216
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
217
217
|
var _i, _a, s;
|
|
218
|
-
return
|
|
218
|
+
return tslib_1.__generator(this, function (_b) {
|
|
219
219
|
switch (_b.label) {
|
|
220
220
|
case 0:
|
|
221
221
|
_i = 0, _a = ctx.sampling;
|
|
@@ -238,9 +238,9 @@ function writeBlocks(ctx, isDataFinished) {
|
|
|
238
238
|
});
|
|
239
239
|
}
|
|
240
240
|
function processSlices(ctx) {
|
|
241
|
-
return
|
|
241
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
242
242
|
var channel, sliceCount, i, isDataFinished;
|
|
243
|
-
return
|
|
243
|
+
return tslib_1.__generator(this, function (_a) {
|
|
244
244
|
switch (_a.label) {
|
|
245
245
|
case 0:
|
|
246
246
|
channel = ctx.channels[0];
|
|
@@ -13,9 +13,9 @@ var typed_array_1 = require("../../../mol-io/common/typed-array");
|
|
|
13
13
|
var simple_buffer_1 = require("../../../mol-io/common/simple-buffer");
|
|
14
14
|
/** Converts a layer to blocks and writes them to the output file. */
|
|
15
15
|
function writeBlockLayer(ctx, sampling) {
|
|
16
|
-
return
|
|
16
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
17
17
|
var nU, nV, startOffset, v, u, size;
|
|
18
|
-
return
|
|
18
|
+
return tslib_1.__generator(this, function (_a) {
|
|
19
19
|
switch (_a.label) {
|
|
20
20
|
case 0:
|
|
21
21
|
nU = Math.ceil(sampling.sampleCount[0] / ctx.blockSize);
|
|
@@ -10,7 +10,7 @@
|
|
|
10
10
|
*/
|
|
11
11
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
12
12
|
var tslib_1 = require("tslib");
|
|
13
|
-
var argparse =
|
|
13
|
+
var argparse = tslib_1.__importStar(require("argparse"));
|
|
14
14
|
var main_1 = require("./pack/main");
|
|
15
15
|
var version_1 = require("./pack/version");
|
|
16
16
|
function getConfig(args) {
|
|
@@ -10,9 +10,9 @@
|
|
|
10
10
|
*/
|
|
11
11
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
12
12
|
var tslib_1 = require("tslib");
|
|
13
|
-
var fs =
|
|
13
|
+
var fs = tslib_1.__importStar(require("fs"));
|
|
14
14
|
var config_1 = require("./config");
|
|
15
|
-
var LocalApi =
|
|
15
|
+
var LocalApi = tslib_1.__importStar(require("./server/local-api"));
|
|
16
16
|
var config = (0, config_1.configureLocal)();
|
|
17
17
|
if (config.jobsTemplate) {
|
|
18
18
|
var exampleJobs = [{
|
|
@@ -52,9 +52,9 @@ if (config.jobsTemplate) {
|
|
|
52
52
|
process.exit();
|
|
53
53
|
}
|
|
54
54
|
function run() {
|
|
55
|
-
return
|
|
55
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
56
56
|
var jobs;
|
|
57
|
-
return
|
|
57
|
+
return tslib_1.__generator(this, function (_a) {
|
|
58
58
|
switch (_a.label) {
|
|
59
59
|
case 0:
|
|
60
60
|
try {
|
|
@@ -5,7 +5,7 @@
|
|
|
5
5
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
6
6
|
exports.volume = exports.dimensions = exports.intersect = exports.areIntersecting = exports.bounding = exports.fractionalFromBlock = exports.fractionalToDomain = exports.clampGridToSamples = exports.shift = exports.expandGridBox = exports.fractionalBoxReorderAxes = exports.gridToFractional = exports.fractionalToGrid = exports.cartesianToFractional = void 0;
|
|
7
7
|
var tslib_1 = require("tslib");
|
|
8
|
-
var Coords =
|
|
8
|
+
var Coords = tslib_1.__importStar(require("./coordinate"));
|
|
9
9
|
// CONVERSIONS
|
|
10
10
|
function cartesianToFractional(box, spacegroup) {
|
|
11
11
|
var l = box.a, r = box.b;
|
|
@@ -9,10 +9,10 @@
|
|
|
9
9
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
10
10
|
exports.queryBox = exports.getExtendedHeaderJson = exports.getOutputFilename = void 0;
|
|
11
11
|
var tslib_1 = require("tslib");
|
|
12
|
-
var File =
|
|
12
|
+
var File = tslib_1.__importStar(require("../common/file"));
|
|
13
13
|
var execute_1 = require("./query/execute");
|
|
14
14
|
var console_logger_1 = require("../../../mol-util/console-logger");
|
|
15
|
-
var DataFormat =
|
|
15
|
+
var DataFormat = tslib_1.__importStar(require("../common/data-format"));
|
|
16
16
|
var config_1 = require("../config");
|
|
17
17
|
var file_handle_1 = require("../../common/file-handle");
|
|
18
18
|
function getOutputFilename(source, id, _a) {
|
|
@@ -30,9 +30,9 @@ function getOutputFilename(source, id, _a) {
|
|
|
30
30
|
exports.getOutputFilename = getOutputFilename;
|
|
31
31
|
/** Reads the header and includes information about available detail levels */
|
|
32
32
|
function getExtendedHeaderJson(filename, sourceId) {
|
|
33
|
-
return
|
|
33
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
34
34
|
var header, _a, sampleCount, maxVoxelCount, precisions, availablePrecisions, _i, precisions_1, p, e_1;
|
|
35
|
-
return
|
|
35
|
+
return tslib_1.__generator(this, function (_b) {
|
|
36
36
|
switch (_b.label) {
|
|
37
37
|
case 0:
|
|
38
38
|
console_logger_1.ConsoleLogger.log('Header', sourceId);
|
|
@@ -72,8 +72,8 @@ function getExtendedHeaderJson(filename, sourceId) {
|
|
|
72
72
|
}
|
|
73
73
|
exports.getExtendedHeaderJson = getExtendedHeaderJson;
|
|
74
74
|
function queryBox(params, outputProvider) {
|
|
75
|
-
return
|
|
76
|
-
return
|
|
75
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
76
|
+
return tslib_1.__generator(this, function (_a) {
|
|
77
77
|
switch (_a.label) {
|
|
78
78
|
case 0: return [4 /*yield*/, (0, execute_1.execute)(params, outputProvider)];
|
|
79
79
|
case 1: return [2 /*return*/, _a.sent()];
|
|
@@ -83,9 +83,9 @@ function queryBox(params, outputProvider) {
|
|
|
83
83
|
}
|
|
84
84
|
exports.queryBox = queryBox;
|
|
85
85
|
function readHeader(filename, sourceId) {
|
|
86
|
-
return
|
|
86
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
87
87
|
var file, _a, header, e_2;
|
|
88
|
-
return
|
|
88
|
+
return tslib_1.__generator(this, function (_b) {
|
|
89
89
|
switch (_b.label) {
|
|
90
90
|
case 0:
|
|
91
91
|
_b.trys.push([0, 3, 4, 5]);
|
|
@@ -9,14 +9,14 @@
|
|
|
9
9
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
10
10
|
exports.run = void 0;
|
|
11
11
|
var tslib_1 = require("tslib");
|
|
12
|
-
var Api =
|
|
13
|
-
var Coordinate =
|
|
14
|
-
var fs =
|
|
15
|
-
var path =
|
|
12
|
+
var Api = tslib_1.__importStar(require("./api"));
|
|
13
|
+
var Coordinate = tslib_1.__importStar(require("./algebra/coordinate"));
|
|
14
|
+
var fs = tslib_1.__importStar(require("fs"));
|
|
15
|
+
var path = tslib_1.__importStar(require("path"));
|
|
16
16
|
function run(jobs) {
|
|
17
|
-
return
|
|
17
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
18
18
|
var progress, started, _i, jobs_1, job, e_1, elapsed;
|
|
19
|
-
return
|
|
19
|
+
return tslib_1.__generator(this, function (_a) {
|
|
20
20
|
switch (_a.label) {
|
|
21
21
|
case 0:
|
|
22
22
|
progress = 0;
|
|
@@ -57,9 +57,9 @@ function getTime() {
|
|
|
57
57
|
}
|
|
58
58
|
function query(job) {
|
|
59
59
|
var _a;
|
|
60
|
-
return
|
|
60
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
61
61
|
var box, params, filename, res;
|
|
62
|
-
return
|
|
62
|
+
return tslib_1.__generator(this, function (_b) {
|
|
63
63
|
switch (_b.label) {
|
|
64
64
|
case 0:
|
|
65
65
|
if (job.query.kind.toLocaleLowerCase() === 'cell') {
|
|
@@ -9,13 +9,13 @@
|
|
|
9
9
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
10
10
|
exports.compose = void 0;
|
|
11
11
|
var tslib_1 = require("tslib");
|
|
12
|
-
var Box =
|
|
13
|
-
var Coords =
|
|
12
|
+
var Box = tslib_1.__importStar(require("../algebra/box"));
|
|
13
|
+
var Coords = tslib_1.__importStar(require("../algebra/coordinate"));
|
|
14
14
|
var typed_array_1 = require("../../../../mol-io/common/typed-array");
|
|
15
15
|
function compose(query) {
|
|
16
|
-
return
|
|
16
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
17
17
|
var _i, _a, block;
|
|
18
|
-
return
|
|
18
|
+
return tslib_1.__generator(this, function (_b) {
|
|
19
19
|
switch (_b.label) {
|
|
20
20
|
case 0:
|
|
21
21
|
_i = 0, _a = query.samplingInfo.blocks;
|
|
@@ -37,9 +37,9 @@ function compose(query) {
|
|
|
37
37
|
}
|
|
38
38
|
exports.compose = compose;
|
|
39
39
|
function readBlock(query, coord, blockBox) {
|
|
40
|
-
return
|
|
40
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
41
41
|
var _a, valueType, blockSize, elementByteSize, numChannels, blockSampleCount, size, byteSize, dataSampleCount, buffer, byteOffset, values;
|
|
42
|
-
return
|
|
42
|
+
return tslib_1.__generator(this, function (_b) {
|
|
43
43
|
switch (_b.label) {
|
|
44
44
|
case 0:
|
|
45
45
|
_a = query.data.header, valueType = _a.valueType, blockSize = _a.blockSize;
|
|
@@ -95,9 +95,9 @@ function createBlockGridDomain(block, grid) {
|
|
|
95
95
|
}
|
|
96
96
|
/** Read the block data and fill all the overlaps with the query region. */
|
|
97
97
|
function fillBlock(query, block) {
|
|
98
|
-
return
|
|
98
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
99
99
|
var baseBox, blockGridDomain, blockData, _i, _a, offset, offsetQueryBox, dataBox, offsetDataBox, blockGridBox, queryGridBox;
|
|
100
|
-
return
|
|
100
|
+
return tslib_1.__generator(this, function (_b) {
|
|
101
101
|
switch (_b.label) {
|
|
102
102
|
case 0:
|
|
103
103
|
baseBox = Box.fractionalFromBlock(block.coord);
|
|
@@ -9,10 +9,10 @@
|
|
|
9
9
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
10
10
|
exports.execute = void 0;
|
|
11
11
|
var tslib_1 = require("tslib");
|
|
12
|
-
var DataFormat =
|
|
13
|
-
var File =
|
|
14
|
-
var Coords =
|
|
15
|
-
var Box =
|
|
12
|
+
var DataFormat = tslib_1.__importStar(require("../../common/data-format"));
|
|
13
|
+
var File = tslib_1.__importStar(require("../../common/file"));
|
|
14
|
+
var Coords = tslib_1.__importStar(require("../algebra/coordinate"));
|
|
15
|
+
var Box = tslib_1.__importStar(require("../algebra/box"));
|
|
16
16
|
var console_logger_1 = require("../../../../mol-util/console-logger");
|
|
17
17
|
var state_1 = require("../state");
|
|
18
18
|
var identify_1 = require("./identify");
|
|
@@ -25,9 +25,9 @@ var typed_array_1 = require("../../../../mol-io/common/typed-array");
|
|
|
25
25
|
var config_1 = require("../../config");
|
|
26
26
|
var file_handle_1 = require("../../../common/file-handle");
|
|
27
27
|
function execute(params, outputProvider) {
|
|
28
|
-
return
|
|
28
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
29
29
|
var start, guid, sourceFile, _a, e_1;
|
|
30
|
-
return
|
|
30
|
+
return tslib_1.__generator(this, function (_b) {
|
|
31
31
|
switch (_b.label) {
|
|
32
32
|
case 0:
|
|
33
33
|
start = getTime();
|
|
@@ -92,9 +92,9 @@ function createSampling(header, index, dataOffset) {
|
|
|
92
92
|
};
|
|
93
93
|
}
|
|
94
94
|
function createDataContext(file) {
|
|
95
|
-
return
|
|
95
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
96
96
|
var _a, header, dataOffset, origin, dimensions;
|
|
97
|
-
return
|
|
97
|
+
return tslib_1.__generator(this, function (_b) {
|
|
98
98
|
switch (_b.label) {
|
|
99
99
|
case 0: return [4 /*yield*/, DataFormat.readHeader(file)];
|
|
100
100
|
case 1:
|
|
@@ -190,9 +190,9 @@ function createQueryContext(data, params, guid) {
|
|
|
190
190
|
};
|
|
191
191
|
}
|
|
192
192
|
function _execute(file, params, guid, outputProvider) {
|
|
193
|
-
return
|
|
193
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
194
194
|
var output, data, query, e_2, query;
|
|
195
|
-
return
|
|
195
|
+
return tslib_1.__generator(this, function (_a) {
|
|
196
196
|
switch (_a.label) {
|
|
197
197
|
case 0:
|
|
198
198
|
output = void 0;
|
|
@@ -9,8 +9,8 @@
|
|
|
9
9
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
10
10
|
exports.findUniqueBlocks = void 0;
|
|
11
11
|
var tslib_1 = require("tslib");
|
|
12
|
-
var Coords =
|
|
13
|
-
var Box =
|
|
12
|
+
var Coords = tslib_1.__importStar(require("../algebra/coordinate"));
|
|
13
|
+
var Box = tslib_1.__importStar(require("../algebra/box"));
|
|
14
14
|
// import { FastMap } from '../utils/collections'
|
|
15
15
|
/** Find a list of unique blocks+offsets that overlap with the query region. */
|
|
16
16
|
function findUniqueBlocks(data, sampling, queryBox) {
|