molstar 4.2.0 → 4.4.0
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/build/viewer/molstar.css +1 -1
- package/build/viewer/molstar.js +1 -1
- package/lib/apps/docking-viewer/viewport.d.ts +1 -1
- package/lib/apps/docking-viewer/viewport.js +2 -1
- package/lib/apps/mesoscale-explorer/app.d.ts +3 -1
- package/lib/apps/mesoscale-explorer/app.js +12 -1
- package/lib/apps/mesoscale-explorer/behavior/camera.d.ts +12 -0
- package/lib/apps/mesoscale-explorer/behavior/camera.js +32 -6
- package/lib/apps/mesoscale-explorer/behavior/select.d.ts +1 -0
- package/lib/apps/mesoscale-explorer/behavior/select.js +58 -9
- package/lib/apps/mesoscale-explorer/data/cellpack/model.js +4 -6
- package/lib/apps/mesoscale-explorer/data/cellpack/preset.js +8 -5
- package/lib/apps/mesoscale-explorer/data/generic/model.d.ts +1 -0
- package/lib/apps/mesoscale-explorer/data/generic/model.js +2 -1
- package/lib/apps/mesoscale-explorer/data/generic/preset.js +7 -6
- package/lib/apps/mesoscale-explorer/data/mmcif/model.js +3 -1
- package/lib/apps/mesoscale-explorer/data/mmcif/preset.js +6 -3
- package/lib/apps/mesoscale-explorer/data/petworld/model.js +3 -1
- package/lib/apps/mesoscale-explorer/data/petworld/preset.js +6 -3
- package/lib/apps/mesoscale-explorer/data/state.d.ts +48 -10
- package/lib/apps/mesoscale-explorer/data/state.js +83 -8
- package/lib/apps/mesoscale-explorer/index.html +6 -1
- package/lib/apps/mesoscale-explorer/style.scss +33 -0
- package/lib/apps/mesoscale-explorer/ui/entities.d.ts +23 -1
- package/lib/apps/mesoscale-explorer/ui/entities.js +301 -32
- package/lib/apps/mesoscale-explorer/ui/panels.d.ts +1 -0
- package/lib/apps/mesoscale-explorer/ui/panels.js +42 -5
- package/lib/apps/mesoscale-explorer/ui/states.d.ts +60 -2
- package/lib/apps/mesoscale-explorer/ui/states.js +471 -11
- package/lib/apps/viewer/app.d.ts +12 -5
- package/lib/apps/viewer/app.js +30 -1
- package/lib/commonjs/apps/docking-viewer/viewport.d.ts +1 -1
- package/lib/commonjs/apps/docking-viewer/viewport.js +2 -1
- package/lib/commonjs/apps/mesoscale-explorer/app.d.ts +3 -1
- package/lib/commonjs/apps/mesoscale-explorer/app.js +12 -1
- package/lib/commonjs/apps/mesoscale-explorer/behavior/camera.d.ts +12 -0
- package/lib/commonjs/apps/mesoscale-explorer/behavior/camera.js +34 -8
- package/lib/commonjs/apps/mesoscale-explorer/behavior/select.d.ts +1 -0
- package/lib/commonjs/apps/mesoscale-explorer/behavior/select.js +58 -9
- package/lib/commonjs/apps/mesoscale-explorer/data/cellpack/model.js +4 -6
- package/lib/commonjs/apps/mesoscale-explorer/data/cellpack/preset.js +8 -6
- package/lib/commonjs/apps/mesoscale-explorer/data/generic/model.d.ts +1 -0
- package/lib/commonjs/apps/mesoscale-explorer/data/generic/model.js +2 -1
- package/lib/commonjs/apps/mesoscale-explorer/data/generic/preset.js +9 -9
- package/lib/commonjs/apps/mesoscale-explorer/data/mmcif/model.js +3 -1
- package/lib/commonjs/apps/mesoscale-explorer/data/mmcif/preset.js +6 -4
- package/lib/commonjs/apps/mesoscale-explorer/data/petworld/model.js +3 -1
- package/lib/commonjs/apps/mesoscale-explorer/data/petworld/preset.js +6 -4
- package/lib/commonjs/apps/mesoscale-explorer/data/state.d.ts +48 -10
- package/lib/commonjs/apps/mesoscale-explorer/data/state.js +107 -28
- package/lib/commonjs/apps/mesoscale-explorer/data/util.js +2 -3
- package/lib/commonjs/apps/mesoscale-explorer/ui/entities.d.ts +23 -1
- package/lib/commonjs/apps/mesoscale-explorer/ui/entities.js +302 -30
- package/lib/commonjs/apps/mesoscale-explorer/ui/panels.d.ts +1 -0
- package/lib/commonjs/apps/mesoscale-explorer/ui/panels.js +39 -2
- package/lib/commonjs/apps/mesoscale-explorer/ui/states.d.ts +60 -2
- package/lib/commonjs/apps/mesoscale-explorer/ui/states.js +477 -13
- package/lib/commonjs/apps/viewer/app.d.ts +12 -5
- package/lib/commonjs/apps/viewer/app.js +29 -0
- package/lib/commonjs/cli/chem-comp-dict/util.js +7 -7
- package/lib/commonjs/cli/cif2bcif/converter.js +1 -2
- package/lib/commonjs/cli/cifschema/util/cif-dic.js +2 -3
- package/lib/commonjs/cli/cifschema/util/generate.js +1 -2
- package/lib/commonjs/cli/cifschema/util/helper.js +1 -2
- package/lib/commonjs/cli/cifschema/util/schema.js +9 -10
- package/lib/commonjs/cli/state-docs/pd-to-md.js +1 -2
- package/lib/commonjs/cli/structure-info/helpers.js +2 -3
- package/lib/commonjs/cli/structure-info/model.js +11 -12
- package/lib/commonjs/examples/alpha-orbitals/controls.js +1 -2
- package/lib/commonjs/examples/basic-wrapper/custom-theme.js +2 -2
- package/lib/commonjs/examples/basic-wrapper/superposition.js +3 -3
- package/lib/commonjs/examples/domain-annotation-server/mapping.js +1 -2
- package/lib/commonjs/examples/lighting/index.d.ts +1 -1
- package/lib/commonjs/examples/lighting/index.js +2 -1
- package/lib/commonjs/examples/proteopedia-wrapper/coloring.d.ts +5 -20
- package/lib/commonjs/examples/proteopedia-wrapper/coloring.js +1 -2
- package/lib/commonjs/examples/proteopedia-wrapper/ui/controls.js +1 -2
- package/lib/commonjs/examples/task.js +6 -6
- package/lib/commonjs/extensions/alpha-orbitals/collocation.js +1 -2
- package/lib/commonjs/extensions/alpha-orbitals/data-model.js +4 -5
- package/lib/commonjs/extensions/alpha-orbitals/density.js +2 -3
- package/lib/commonjs/extensions/alpha-orbitals/gpu/compute.js +2 -3
- package/lib/commonjs/extensions/alpha-orbitals/orbitals.js +2 -3
- package/lib/commonjs/extensions/alpha-orbitals/spherical-functions.js +2 -2
- package/lib/commonjs/extensions/alpha-orbitals/transforms.d.ts +3 -3
- package/lib/commonjs/extensions/anvil/algorithm.js +5 -5
- package/lib/commonjs/extensions/anvil/behavior.d.ts +1 -0
- package/lib/commonjs/extensions/anvil/behavior.js +2 -2
- package/lib/commonjs/extensions/anvil/representation.d.ts +4 -0
- package/lib/commonjs/extensions/anvil/representation.js +3 -3
- package/lib/commonjs/extensions/assembly-symmetry/behavior.d.ts +1 -0
- package/lib/commonjs/extensions/assembly-symmetry/behavior.js +3 -3
- package/lib/commonjs/extensions/assembly-symmetry/color.d.ts +2 -2
- package/lib/commonjs/extensions/assembly-symmetry/color.js +3 -3
- package/lib/commonjs/extensions/assembly-symmetry/prop.js +3 -3
- package/lib/commonjs/extensions/assembly-symmetry/representation.d.ts +1 -0
- package/lib/commonjs/extensions/assembly-symmetry/representation.js +2 -2
- package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.js +2 -2
- package/lib/commonjs/extensions/dnatco/confal-pyramids/color.js +3 -3
- package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.d.ts +3 -0
- package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.js +3 -3
- package/lib/commonjs/extensions/dnatco/ntc-tube/behavior.js +2 -2
- package/lib/commonjs/extensions/dnatco/ntc-tube/color.js +3 -3
- package/lib/commonjs/extensions/dnatco/ntc-tube/representation.d.ts +3 -0
- package/lib/commonjs/extensions/dnatco/ntc-tube/representation.js +3 -3
- package/lib/commonjs/extensions/g3d/data.js +2 -3
- package/lib/commonjs/extensions/g3d/format.d.ts +3 -3
- package/lib/commonjs/extensions/g3d/model.js +5 -5
- package/lib/commonjs/extensions/geo-export/mesh-exporter.d.ts +2 -2
- package/lib/commonjs/extensions/geo-export/ui.d.ts +0 -1
- package/lib/commonjs/extensions/meshes/examples.js +9 -9
- package/lib/commonjs/extensions/meshes/mesh-extension.d.ts +3 -5
- package/lib/commonjs/extensions/meshes/mesh-extension.js +2 -2
- package/lib/commonjs/extensions/meshes/mesh-streaming/behavior.d.ts +3 -3
- package/lib/commonjs/extensions/meshes/mesh-streaming/server-info.d.ts +3 -3
- package/lib/commonjs/extensions/meshes/mesh-utils.js +9 -9
- package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.d.ts +1 -1
- package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.js +11 -8
- package/lib/commonjs/extensions/model-archive/quality-assessment/color/qmean.js +3 -3
- package/lib/commonjs/extensions/model-export/export.js +2 -2
- package/lib/commonjs/extensions/model-export/ui.d.ts +0 -1
- package/lib/commonjs/extensions/mp4-export/controls.d.ts +1 -1
- package/lib/commonjs/extensions/mp4-export/encoder.js +2 -3
- package/lib/commonjs/extensions/mp4-export/ui.d.ts +0 -1
- package/lib/commonjs/extensions/mvs/camera.js +4 -5
- package/lib/commonjs/extensions/mvs/components/annotation-color-theme.js +2 -2
- package/lib/commonjs/extensions/mvs/components/annotation-label/representation.d.ts +32 -34
- package/lib/commonjs/extensions/mvs/components/annotation-label/representation.js +2 -2
- package/lib/commonjs/extensions/mvs/components/annotation-label/visual.d.ts +16 -16
- package/lib/commonjs/extensions/mvs/components/annotation-label/visual.js +2 -2
- package/lib/commonjs/extensions/mvs/components/annotation-prop.js +2 -2
- package/lib/commonjs/extensions/mvs/components/annotation-structure-component.js +4 -4
- package/lib/commonjs/extensions/mvs/components/custom-label/representation.d.ts +32 -32
- package/lib/commonjs/extensions/mvs/components/custom-label/representation.js +2 -2
- package/lib/commonjs/extensions/mvs/components/custom-label/visual.d.ts +16 -16
- package/lib/commonjs/extensions/mvs/components/custom-label/visual.js +2 -2
- package/lib/commonjs/extensions/mvs/components/formats.d.ts +6 -6
- package/lib/commonjs/extensions/mvs/components/formats.js +2 -2
- package/lib/commonjs/extensions/mvs/components/is-mvs-model-prop.js +3 -3
- package/lib/commonjs/extensions/mvs/components/multilayer-color-theme.js +3 -3
- package/lib/commonjs/extensions/mvs/components/selector.js +3 -3
- package/lib/commonjs/extensions/mvs/helpers/indexing.d.ts +2 -2
- package/lib/commonjs/extensions/mvs/helpers/label-text.js +1 -2
- package/lib/commonjs/extensions/mvs/helpers/param-definition.js +2 -3
- package/lib/commonjs/extensions/mvs/helpers/schemas.d.ts +1 -1
- package/lib/commonjs/extensions/mvs/helpers/schemas.js +2 -2
- package/lib/commonjs/extensions/mvs/helpers/selections.js +6 -7
- package/lib/commonjs/extensions/mvs/helpers/utils.d.ts +1 -1
- package/lib/commonjs/extensions/mvs/helpers/utils.js +7 -7
- package/lib/commonjs/extensions/mvs/load-helpers.d.ts +1 -1
- package/lib/commonjs/extensions/mvs/load-helpers.js +17 -17
- package/lib/commonjs/extensions/mvs/load.js +1 -2
- package/lib/commonjs/extensions/mvs/tree/generic/params-schema.js +8 -8
- package/lib/commonjs/extensions/mvs/tree/generic/tree-schema.js +8 -9
- package/lib/commonjs/extensions/mvs/tree/generic/tree-utils.js +10 -11
- package/lib/commonjs/extensions/mvs/tree/molstar/conversion.js +4 -4
- package/lib/commonjs/extensions/mvs/tree/mvs/mvs-builder.d.ts +0 -2
- package/lib/commonjs/extensions/mvs/tree/mvs/mvs-builder.js +3 -3
- package/lib/commonjs/extensions/pdbe/structure-quality-report/color.js +2 -2
- package/lib/commonjs/extensions/rcsb/validation-report/color/density-fit.js +2 -2
- package/lib/commonjs/extensions/rcsb/validation-report/color/geometry-quality.js +3 -3
- package/lib/commonjs/extensions/rcsb/validation-report/color/random-coil-index.js +2 -2
- package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +5 -0
- package/lib/commonjs/extensions/rcsb/validation-report/representation.js +5 -5
- package/lib/commonjs/extensions/sb-ncbr/index.d.ts +8 -0
- package/lib/commonjs/extensions/sb-ncbr/index.js +14 -1
- package/lib/commonjs/extensions/sb-ncbr/partial-charges/color.js +3 -3
- package/lib/commonjs/extensions/sb-ncbr/partial-charges/labels.js +1 -2
- package/lib/commonjs/extensions/sb-ncbr/partial-charges/property.js +2 -2
- package/lib/commonjs/extensions/sb-ncbr/tunnels/actions.d.ts +20 -0
- package/lib/commonjs/extensions/sb-ncbr/tunnels/actions.js +89 -0
- package/lib/commonjs/extensions/sb-ncbr/tunnels/algorithm.d.ts +26 -0
- package/lib/commonjs/extensions/sb-ncbr/tunnels/algorithm.js +473 -0
- package/lib/commonjs/extensions/sb-ncbr/tunnels/behavior.d.ts +40 -0
- package/lib/commonjs/extensions/sb-ncbr/tunnels/behavior.js +96 -0
- package/lib/commonjs/extensions/sb-ncbr/tunnels/data-model.d.ts +146 -0
- package/lib/commonjs/extensions/sb-ncbr/tunnels/data-model.js +28 -0
- package/lib/commonjs/extensions/sb-ncbr/tunnels/examples.d.ts +12 -0
- package/lib/commonjs/extensions/sb-ncbr/tunnels/examples.js +54 -0
- package/lib/commonjs/extensions/sb-ncbr/tunnels/props.d.ts +19 -0
- package/lib/commonjs/extensions/sb-ncbr/tunnels/props.js +26 -0
- package/lib/commonjs/extensions/sb-ncbr/tunnels/representation.d.ts +29 -0
- package/lib/commonjs/extensions/sb-ncbr/tunnels/representation.js +99 -0
- package/lib/commonjs/extensions/volumes-and-segmentations/entry-root.d.ts +3 -3
- package/lib/commonjs/extensions/volumes-and-segmentations/entry-root.js +3 -3
- package/lib/commonjs/extensions/volumes-and-segmentations/entry-state.d.ts +3 -3
- package/lib/commonjs/extensions/volumes-and-segmentations/external-api.js +2 -3
- package/lib/commonjs/extensions/volumes-and-segmentations/global-state.d.ts +3 -3
- package/lib/commonjs/extensions/volumes-and-segmentations/helpers.js +6 -6
- package/lib/commonjs/extensions/volumes-and-segmentations/ui.d.ts +0 -1
- package/lib/commonjs/extensions/zenodo/ui.d.ts +0 -1
- package/lib/commonjs/mol-canvas3d/camera/transition.d.ts +1 -1
- package/lib/commonjs/mol-canvas3d/camera/transition.js +23 -6
- package/lib/commonjs/mol-canvas3d/camera/util.js +3 -4
- package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +26 -1
- package/lib/commonjs/mol-canvas3d/canvas3d.js +4 -0
- package/lib/commonjs/mol-canvas3d/helper/bounding-sphere-helper.d.ts +1 -6
- package/lib/commonjs/mol-canvas3d/helper/camera-helper.js +2 -2
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.d.ts +1 -0
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.js +2 -2
- package/lib/commonjs/mol-canvas3d/helper/helper.d.ts +2 -0
- package/lib/commonjs/mol-canvas3d/passes/dof.d.ts +34 -0
- package/lib/commonjs/mol-canvas3d/passes/dof.js +167 -0
- package/lib/commonjs/mol-canvas3d/passes/draw.d.ts +2 -0
- package/lib/commonjs/mol-canvas3d/passes/draw.js +31 -8
- package/lib/commonjs/mol-canvas3d/passes/image.d.ts +10 -0
- package/lib/commonjs/mol-canvas3d/passes/multi-sample.d.ts +2 -1
- package/lib/commonjs/mol-canvas3d/passes/multi-sample.js +4 -3
- package/lib/commonjs/mol-canvas3d/passes/postprocessing.d.ts +9 -0
- package/lib/commonjs/mol-canvas3d/passes/postprocessing.js +12 -2
- package/lib/commonjs/mol-canvas3d/util.js +3 -4
- package/lib/commonjs/mol-data/db/column-helpers.js +6 -7
- package/lib/commonjs/mol-data/db/column.d.ts +1 -1
- package/lib/commonjs/mol-data/generic/hash-set.js +1 -2
- package/lib/commonjs/mol-data/generic/linked-list.js +1 -2
- package/lib/commonjs/mol-data/int/impl/interval.js +15 -15
- package/lib/commonjs/mol-data/int/impl/ordered-set.js +25 -25
- package/lib/commonjs/mol-data/int/impl/segmentation.js +7 -7
- package/lib/commonjs/mol-data/int/impl/sorted-array.js +31 -31
- package/lib/commonjs/mol-data/int/linked-index.js +1 -2
- package/lib/commonjs/mol-data/util/array.js +5 -6
- package/lib/commonjs/mol-data/util/buckets.js +1 -2
- package/lib/commonjs/mol-data/util/combination.js +2 -2
- package/lib/commonjs/mol-data/util/equivalence-classes.js +2 -2
- package/lib/commonjs/mol-data/util/grouping.js +2 -3
- package/lib/commonjs/mol-data/util/hash-functions.js +9 -10
- package/lib/commonjs/mol-data/util/sort.js +5 -6
- package/lib/commonjs/mol-geo/geometry/base.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/base.js +3 -3
- package/lib/commonjs/mol-geo/geometry/clipping-data.js +4 -5
- package/lib/commonjs/mol-geo/geometry/color-data.js +4 -5
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +1 -0
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.js +3 -0
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.d.ts +1 -0
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +3 -0
- package/lib/commonjs/mol-geo/geometry/direct-volume/transfer-function.js +3 -4
- package/lib/commonjs/mol-geo/geometry/emissive-data.js +5 -6
- package/lib/commonjs/mol-geo/geometry/image/image.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +0 -1
- package/lib/commonjs/mol-geo/geometry/marker-data.js +3 -4
- package/lib/commonjs/mol-geo/geometry/mesh/builder/axes.js +1 -2
- package/lib/commonjs/mol-geo/geometry/mesh/builder/box.js +2 -3
- package/lib/commonjs/mol-geo/geometry/mesh/builder/cylinder.js +4 -5
- package/lib/commonjs/mol-geo/geometry/mesh/builder/ellipsoid.js +1 -2
- package/lib/commonjs/mol-geo/geometry/mesh/builder/ribbon.js +1 -2
- package/lib/commonjs/mol-geo/geometry/mesh/builder/sheet.js +1 -2
- package/lib/commonjs/mol-geo/geometry/mesh/builder/sphere.js +2 -3
- package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.js +1 -2
- package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.js +7 -8
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.d.ts +1 -0
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +3 -0
- package/lib/commonjs/mol-geo/geometry/overpaint-data.js +4 -5
- package/lib/commonjs/mol-geo/geometry/points/points.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/size-data.js +9 -9
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +1 -0
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.js +3 -0
- package/lib/commonjs/mol-geo/geometry/substance-data.js +4 -5
- package/lib/commonjs/mol-geo/geometry/text/font-atlas.js +3 -3
- package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js +7 -7
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +1 -0
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +3 -0
- package/lib/commonjs/mol-geo/geometry/transform-data.js +4 -5
- package/lib/commonjs/mol-geo/geometry/transparency-data.js +5 -6
- package/lib/commonjs/mol-geo/primitive/box.js +3 -4
- package/lib/commonjs/mol-geo/primitive/cage.js +3 -4
- package/lib/commonjs/mol-geo/primitive/circle.js +2 -2
- package/lib/commonjs/mol-geo/primitive/cylinder.js +2 -2
- package/lib/commonjs/mol-geo/primitive/dodecahedron.js +3 -3
- package/lib/commonjs/mol-geo/primitive/icosahedron.js +2 -3
- package/lib/commonjs/mol-geo/primitive/octahedron.js +4 -4
- package/lib/commonjs/mol-geo/primitive/plane.js +2 -3
- package/lib/commonjs/mol-geo/primitive/polygon.js +1 -2
- package/lib/commonjs/mol-geo/primitive/polyhedron.js +2 -2
- package/lib/commonjs/mol-geo/primitive/primitive.js +4 -5
- package/lib/commonjs/mol-geo/primitive/prism.js +11 -11
- package/lib/commonjs/mol-geo/primitive/pyramid.js +6 -7
- package/lib/commonjs/mol-geo/primitive/sphere.js +2 -3
- package/lib/commonjs/mol-geo/primitive/spiked-ball.js +1 -2
- package/lib/commonjs/mol-geo/primitive/star.js +2 -2
- package/lib/commonjs/mol-geo/primitive/tetrahedron.js +3 -3
- package/lib/commonjs/mol-geo/primitive/torus.js +2 -2
- package/lib/commonjs/mol-geo/primitive/wedge.js +3 -4
- package/lib/commonjs/mol-geo/util/location-iterator.js +3 -4
- package/lib/commonjs/mol-geo/util/marching-cubes/algorithm.js +2 -3
- package/lib/commonjs/mol-geo/util/marching-cubes/builder.js +2 -3
- package/lib/commonjs/mol-geo/util/marching-cubes/tables.js +3 -3
- package/lib/commonjs/mol-geo/util.js +7 -8
- package/lib/commonjs/mol-gl/compute/grid3d.js +2 -3
- package/lib/commonjs/mol-gl/compute/hi-z.js +1 -2
- package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js +1 -2
- package/lib/commonjs/mol-gl/compute/histogram-pyramid/sum.js +1 -2
- package/lib/commonjs/mol-gl/compute/marching-cubes/active-voxels.js +1 -2
- package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.js +2 -3
- package/lib/commonjs/mol-gl/compute/marching-cubes/tables.js +2 -3
- package/lib/commonjs/mol-gl/compute/util.js +5 -5
- package/lib/commonjs/mol-gl/render-object.js +3 -3
- package/lib/commonjs/mol-gl/renderable/cylinders.d.ts +1 -0
- package/lib/commonjs/mol-gl/renderable/cylinders.js +3 -2
- package/lib/commonjs/mol-gl/renderable/direct-volume.d.ts +1 -0
- package/lib/commonjs/mol-gl/renderable/direct-volume.js +3 -2
- package/lib/commonjs/mol-gl/renderable/image.js +2 -2
- package/lib/commonjs/mol-gl/renderable/lines.js +2 -2
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- package/lib/servers/volume/common/data-format.d.ts +0 -1
- package/lib/servers/volume/config.d.ts +1 -5
- package/package.json +18 -16
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@@ -5,7 +5,7 @@
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* @author David Sehnal <david.sehnal@gmail.com>
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*/
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Object.defineProperty(exports, "__esModule", { value: true });
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exports.parseCifBinary =
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exports.parseCifBinary = parseCifBinary;
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const tslib_1 = require("tslib");
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const Data = tslib_1.__importStar(require("../data-model"));
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const field_1 = require("./field");
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@@ -60,4 +60,3 @@ function parseCifBinary(data) {
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}
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});
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}
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exports.parseCifBinary = parseCifBinary;
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* @author Alexander Rose <alexander.rose@weirdbyte.de>
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*/
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Object.defineProperty(exports, "__esModule", { value: true });
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exports.
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exports.CifField = void 0;
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exports.CifFile = CifFile;
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exports.CifBlock = CifBlock;
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exports.CifSaveFrame = CifSaveFrame;
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exports.CifCategory = CifCategory;
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exports.tensorFieldNameGetter = tensorFieldNameGetter;
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exports.getTensor = getTensor;
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exports.getCifFieldType = getCifFieldType;
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const db_1 = require("../../../mol-data/db");
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const number_parser_1 = require("../common/text/number-parser");
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const token_1 = require("../common/text/column/token");
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function CifFile(blocks, name) {
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return { name, blocks: blocks };
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}
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exports.CifFile = CifFile;
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function CifBlock(categoryNames, categories, header, saveFrames = []) {
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return {
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categoryNames, header, categories, saveFrames,
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}
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};
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}
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exports.CifBlock = CifBlock;
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function CifSaveFrame(categoryNames, categories, header) {
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return { categoryNames, header, categories };
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}
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exports.CifSaveFrame = CifSaveFrame;
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function CifCategory(name, rowCount, fieldNames, fields) {
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return { rowCount, name, fieldNames: [...fieldNames], getField(name) { return fields[name]; } };
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}
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exports.CifCategory = CifCategory;
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(function (CifCategory) {
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function empty(name) {
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return { rowCount: 0, name, fieldNames: [], getField(name) { return void 0; } };
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@@ -236,7 +239,6 @@ function tensorFieldNameGetter(field, rank, zeroIndexed, namingVariant) {
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throw new Error('Tensors with rank > 3 or rank 0 are currently not supported.');
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}
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}
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exports.tensorFieldNameGetter = tensorFieldNameGetter;
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function getTensor(category, space, row, getName) {
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const ret = space.create();
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if (space.rank === 1) {
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}
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return ret;
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}
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exports.getTensor = getTensor;
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function getCifFieldType(field) {
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let floatCount = 0, hasStringOrScientific = false, undefinedCount = 0;
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for (let i = 0, _i = field.rowCount; i < _i; i++) {
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@@ -297,4 +298,3 @@ function getCifFieldType(field) {
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return db_1.Column.Schema.float;
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return db_1.Column.Schema.int;
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}
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exports.getCifFieldType = getCifFieldType;
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@@ -1,7 +1,7 @@
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/**
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* Copyright (c) 2017-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
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*
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* Code-generated 'BIRD' schema file. Dictionary versions: mmCIF 5.
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* Code-generated 'BIRD' schema file. Dictionary versions: mmCIF 5.395, IHM 1.25, MA 1.4.6.
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*
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* @author molstar/ciftools package
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*/
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/**
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* Copyright (c) 2017-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
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*
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* Code-generated 'BIRD' schema file. Dictionary versions: mmCIF 5.
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* Code-generated 'BIRD' schema file. Dictionary versions: mmCIF 5.395, IHM 1.25, MA 1.4.6.
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*
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* @author molstar/ciftools package
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*/
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/**
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* Copyright (c) 2017-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
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*
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* Code-generated 'CCD' schema file. Dictionary versions: mmCIF 5.
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* Code-generated 'CCD' schema file. Dictionary versions: mmCIF 5.395, IHM 1.25, MA 1.4.6.
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*
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* @author molstar/ciftools package
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*/
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/**
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* Copyright (c) 2017-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
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*
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* Code-generated 'CCD' schema file. Dictionary versions: mmCIF 5.
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* Code-generated 'CCD' schema file. Dictionary versions: mmCIF 5.395, IHM 1.25, MA 1.4.6.
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*
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* @author molstar/ciftools package
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*/
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/**
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* Copyright (c) 2017-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
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*
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* Code-generated 'mmCIF' schema file. Dictionary versions: mmCIF 5.
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* Code-generated 'mmCIF' schema file. Dictionary versions: mmCIF 5.395, IHM 1.25, MA 1.4.6.
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*
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* @author molstar/ciftools package
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*/
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* the entry.
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*/
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pdbx_number_of_molecules: Schema.Int;
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/**
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* An identifier for the parent entity if this entity
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* is part of a complex entity. For instance a chimeric
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* entity may be decomposed into several independent
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* chemical entities where each component entity was
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* obtained from a different source.
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*/
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pdbx_parent_entity_id: Schema.Str;
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/**
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* Details about any entity mutation(s).
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*/
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/**
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* Copyright (c) 2017-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
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*
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* Code-generated 'mmCIF' schema file. Dictionary versions: mmCIF 5.
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* Code-generated 'mmCIF' schema file. Dictionary versions: mmCIF 5.395, IHM 1.25, MA 1.4.6.
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*
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* @author molstar/ciftools package
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*/
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* the entry.
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*/
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pdbx_number_of_molecules: int,
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/**
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* An identifier for the parent entity if this entity
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* is part of a complex entity. For instance a chimeric
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* entity may be decomposed into several independent
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* chemical entities where each component entity was
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* obtained from a different source.
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*/
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pdbx_parent_entity_id: str,
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/**
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* Details about any entity mutation(s).
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*/
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* @author Alexander Rose <alexander.rose@weirdbyte.de>
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*/
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Object.defineProperty(exports, "__esModule", { value: true });
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exports.
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exports.FieldPath = void 0;
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exports.toDatabaseCollection = toDatabaseCollection;
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exports.toDatabase = toDatabase;
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exports.toTable = toTable;
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const tslib_1 = require("tslib");
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const db_1 = require("../../../mol-data/db");
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const linear_algebra_1 = require("../../../mol-math/linear-algebra");
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@@ -35,15 +38,12 @@ function toDatabaseCollection(schema, file, aliases) {
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}
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return dbc;
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}
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exports.toDatabaseCollection = toDatabaseCollection;
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function toDatabase(schema, frame, aliases) {
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return createDatabase(schema, frame, aliases);
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}
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exports.toDatabase = toDatabase;
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function toTable(schema, category) {
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return new CategoryTable(category, schema, true);
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}
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exports.toTable = toTable;
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function getColumnCtor(t) {
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switch (t.valueType) {
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case 'str': return (f, c, k) => createStringColumn(t, f, f.str, f.toStringArray);
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* @author Alexander Rose <alexander.rose@weirdbyte.de>
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*/
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Object.defineProperty(exports, "__esModule", { value: true });
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exports.parseCifText =
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exports.parseCifText = parseCifText;
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const tslib_1 = require("tslib");
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/**
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* mmCIF parser.
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return await parseInternal(data, ctx);
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});
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}
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exports.parseCifText = parseCifText;
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*/
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import { Column } from '../../../../../mol-data/db';
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import { Tokens } from '../tokenizer';
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export declare function FixedColumnProvider(lines: Tokens): <T extends Column.Schema
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export declare function FixedColumnProvider(lines: Tokens): <T extends Column.Schema>(offset: number, width: number, type: T) => Column<T["T"]>;
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export declare function FixedColumn<T extends Column.Schema>(lines: Tokens, offset: number, width: number, schema: T): Column<T['T']>;
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* @author David Sehnal <david.sehnal@gmail.com>
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*/
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exports.
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exports.FixedColumnProvider = FixedColumnProvider;
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exports.FixedColumn = FixedColumn;
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const db_1 = require("../../../../../mol-data/db");
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const tokenizer_1 = require("../tokenizer");
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const number_parser_1 = require("../number-parser");
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return FixedColumn(lines, offset, width, type);
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};
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}
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exports.FixedColumnProvider = FixedColumnProvider;
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function FixedColumn(lines, offset, width, schema) {
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const { data, indices, count: rowCount } = lines;
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const { valueType: type } = schema;
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@@ -48,4 +48,3 @@ function FixedColumn(lines, offset, width, schema) {
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areValuesEqual: (rowA, rowB) => value(rowA) === value(rowB)
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};
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}
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exports.FixedColumn = FixedColumn;
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*/
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import { Column } from '../../../../../mol-data/db';
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import { Tokens } from '../tokenizer';
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export declare function TokenColumnProvider(tokens: Tokens): <T extends Column.Schema
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export declare function TokenColumnProvider(tokens: Tokens): <T extends Column.Schema>(type: T) => Column<T["T"]>;
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export declare function TokenColumn<T extends Column.Schema>(tokens: Tokens, schema: T): Column<T['T']>;
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export declare function areValuesEqualProvider(tokens: Tokens): (rowA: number, rowB: number) => boolean;
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export declare function areTokensEmpty(tokens: Tokens): boolean;
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* @author Alexander Rose <alexander.rose@weirdbyte.de>
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*/
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exports.
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exports.TokenColumnProvider = TokenColumnProvider;
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exports.TokenColumn = TokenColumn;
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exports.areValuesEqualProvider = areValuesEqualProvider;
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exports.areTokensEmpty = areTokensEmpty;
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const db_1 = require("../../../../../mol-data/db");
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const number_parser_1 = require("../number-parser");
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function TokenColumnProvider(tokens) {
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}
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exports.TokenColumnProvider = TokenColumnProvider;
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function TokenColumn(tokens, schema) {
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const { data, indices, count: rowCount } = tokens;
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const { valueType: type } = schema;
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areValuesEqual: areValuesEqualProvider(tokens)
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};
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}
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exports.TokenColumn = TokenColumn;
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function areValuesEqualProvider(tokens) {
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const { data, indices } = tokens;
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return function (rowA, rowB) {
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}
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exports.areValuesEqualProvider = areValuesEqualProvider;
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function areTokensEmpty(tokens) {
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const { count, indices } = tokens;
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return true;
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}
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exports.areTokensEmpty = areTokensEmpty;
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* based in part on https://github.com/dsehnal/CIFTools.js
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*/
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Object.defineProperty(exports, "__esModule", { value: true });
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exports.
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exports.NumberType = void 0;
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exports.parseIntSkipLeadingWhitespace = parseIntSkipLeadingWhitespace;
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exports.parseInt = parseInt;
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exports.parseFloatSkipLeadingWhitespace = parseFloatSkipLeadingWhitespace;
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exports.parseFloat = parseFloat;
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exports.getNumberType = getNumberType;
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/**
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* Efficient integer and float parsers.
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*
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@@ -20,7 +25,6 @@ function parseIntSkipLeadingWhitespace(str, start, end) {
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start++;
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return parseInt(str, start, end);
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}
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exports.parseIntSkipLeadingWhitespace = parseIntSkipLeadingWhitespace;
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function parseInt(str, start, end) {
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let _start = start, ret = 0, neg = 1;
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if (str.charCodeAt(_start) === 45 /* - */) {
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exports.
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exports.parseDcd = parseDcd;
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exports.
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exports.getDsn6Counts = getDsn6Counts;
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exports.parseFile = parseFile;
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exports.parse = parse;
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exports.parseDsn6Values = parseDsn6Values;
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|
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exports.getDsn6Counts = getDsn6Counts;
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|
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|
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|
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|
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|
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exports.parseFile = parseFile;
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|
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|
function parse(buffer, name) {
|
|
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|
return parseFile(file_handle_1.FileHandle.fromBuffer(simple_buffer_1.SimpleBuffer.fromUint8Array(buffer), name), buffer.length);
|
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exports.parse = parse;
|
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@@ -8,7 +8,7 @@
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|
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|
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|
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|
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exports.parseDx =
|
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|
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exports.parseDx = parseDx;
|
|
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|
const linear_algebra_1 = require("../../../mol-math/linear-algebra");
|
|
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13
|
const mol_task_1 = require("../../../mol-task");
|
|
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14
|
const number_parser_1 = require("../common/text/number-parser");
|
|
@@ -100,4 +100,3 @@ function parseDx(data, name) {
|
|
|
100
100
|
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|
|
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|
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|
|
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|
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|
|
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|
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exports.parseDx = parseDx;
|
|
@@ -6,7 +6,7 @@
|
|
|
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6
|
* @author David Sehnal <david.sehnal@gmail.com>
|
|
7
7
|
*/
|
|
8
8
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
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|
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exports.parseGRO =
|
|
9
|
+
exports.parseGRO = parseGRO;
|
|
10
10
|
const db_1 = require("../../../mol-data/db");
|
|
11
11
|
const tokenizer_1 = require("../common/text/tokenizer");
|
|
12
12
|
const fixed_1 = require("../common/text/column/fixed");
|
|
@@ -137,4 +137,3 @@ function parseGRO(data) {
|
|
|
137
137
|
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|
|
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138
|
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|
|
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139
|
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|
|
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|
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exports.parseGRO = parseGRO;
|
|
@@ -6,7 +6,12 @@
|
|
|
6
6
|
* @author Panagiotis Tourlas <panagiot_tourlov@hotmail.com>
|
|
7
7
|
*/
|
|
8
8
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
9
|
-
exports.
|
|
9
|
+
exports.formalChargeMapper = formalChargeMapper;
|
|
10
|
+
exports.handleAtoms = handleAtoms;
|
|
11
|
+
exports.handleBonds = handleBonds;
|
|
12
|
+
exports.handleFormalCharges = handleFormalCharges;
|
|
13
|
+
exports.handlePropertiesBlock = handlePropertiesBlock;
|
|
14
|
+
exports.parseMol = parseMol;
|
|
10
15
|
const db_1 = require("../../../mol-data/db");
|
|
11
16
|
const mol_task_1 = require("../../../mol-task");
|
|
12
17
|
const token_1 = require("../common/text/column/token");
|
|
@@ -57,7 +62,6 @@ function formalChargeMapper(key) {
|
|
|
57
62
|
return 0;
|
|
58
63
|
}
|
|
59
64
|
}
|
|
60
|
-
exports.formalChargeMapper = formalChargeMapper;
|
|
61
65
|
function handleAtoms(tokenizer, count) {
|
|
62
66
|
const x = tokenizer_1.TokenBuilder.create(tokenizer.data, count * 2);
|
|
63
67
|
const y = tokenizer_1.TokenBuilder.create(tokenizer.data, count * 2);
|
|
@@ -88,7 +92,6 @@ function handleAtoms(tokenizer, count) {
|
|
|
88
92
|
formal_charge: (0, token_1.TokenColumnProvider)(formal_charge)(db_1.Column.Schema.int)
|
|
89
93
|
};
|
|
90
94
|
}
|
|
91
|
-
exports.handleAtoms = handleAtoms;
|
|
92
95
|
function handleBonds(tokenizer, count) {
|
|
93
96
|
const atomIdxA = tokenizer_1.TokenBuilder.create(tokenizer.data, count * 2);
|
|
94
97
|
const atomIdxB = tokenizer_1.TokenBuilder.create(tokenizer.data, count * 2);
|
|
@@ -111,7 +114,6 @@ function handleBonds(tokenizer, count) {
|
|
|
111
114
|
order: (0, token_1.TokenColumnProvider)(order)(db_1.Column.Schema.int)
|
|
112
115
|
};
|
|
113
116
|
}
|
|
114
|
-
exports.handleBonds = handleBonds;
|
|
115
117
|
function handleFormalCharges(tokenizer, lineStart, formalCharges) {
|
|
116
118
|
tokenizer_1.Tokenizer.trim(tokenizer, lineStart + 6, lineStart + 9);
|
|
117
119
|
const numOfCharges = parseInt(tokenizer_1.Tokenizer.getTokenString(tokenizer));
|
|
@@ -140,7 +142,6 @@ function handleFormalCharges(tokenizer, lineStart, formalCharges) {
|
|
|
140
142
|
/* Once the line is read, move to the next one. */
|
|
141
143
|
tokenizer_1.Tokenizer.eatLine(tokenizer);
|
|
142
144
|
}
|
|
143
|
-
exports.handleFormalCharges = handleFormalCharges;
|
|
144
145
|
/** Call an appropriate handler based on the property type.
|
|
145
146
|
* (For now it only calls the formal charge handler, additional handlers can
|
|
146
147
|
* be added for other properties.)
|
|
@@ -170,7 +171,6 @@ function handlePropertiesBlock(tokenizer) {
|
|
|
170
171
|
};
|
|
171
172
|
return formalCharges;
|
|
172
173
|
}
|
|
173
|
-
exports.handlePropertiesBlock = handlePropertiesBlock;
|
|
174
174
|
function parseInternal(data) {
|
|
175
175
|
const tokenizer = (0, tokenizer_1.Tokenizer)(data);
|
|
176
176
|
const title = tokenizer_1.Tokenizer.readLine(tokenizer).trim();
|
|
@@ -196,4 +196,3 @@ function parseMol(data) {
|
|
|
196
196
|
return parseInternal(data);
|
|
197
197
|
});
|
|
198
198
|
}
|
|
199
|
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exports.parseMol = parseMol;
|
|
@@ -6,7 +6,7 @@
|
|
|
6
6
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
7
7
|
*/
|
|
8
8
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
9
|
-
exports.parseMol2 =
|
|
9
|
+
exports.parseMol2 = parseMol2;
|
|
10
10
|
// NOTES
|
|
11
11
|
// When want to created undefined string column, must use
|
|
12
12
|
// undefStr = UndefinedColumn(molecule.num_atoms, ColumnType.str)
|
|
@@ -278,4 +278,3 @@ function parseMol2(data, name) {
|
|
|
278
278
|
return await parseInternal(ctx, data, name);
|
|
279
279
|
});
|
|
280
280
|
}
|
|
281
|
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exports.parseMol2 = parseMol2;
|
|
@@ -5,7 +5,7 @@
|
|
|
5
5
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
6
6
|
*/
|
|
7
7
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
8
|
-
exports.parseNctraj =
|
|
8
|
+
exports.parseNctraj = parseNctraj;
|
|
9
9
|
const mol_task_1 = require("../../../mol-task");
|
|
10
10
|
const reader_1 = require("../../common/netcdf/reader");
|
|
11
11
|
const result_1 = require("../result");
|
|
@@ -72,4 +72,3 @@ function parseNctraj(data) {
|
|
|
72
72
|
}
|
|
73
73
|
});
|
|
74
74
|
}
|
|
75
|
-
exports.parseNctraj = parseNctraj;
|
|
@@ -5,7 +5,7 @@
|
|
|
5
5
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
6
6
|
*/
|
|
7
7
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
8
|
-
exports.parse =
|
|
8
|
+
exports.parse = parse;
|
|
9
9
|
const result_1 = require("../result");
|
|
10
10
|
const mol_task_1 = require("../../../mol-task");
|
|
11
11
|
const mesh_1 = require("../../../mol-geo/geometry/mesh/mesh");
|
|
@@ -20,4 +20,3 @@ function parse(data) {
|
|
|
20
20
|
return await parseInternal(data, ctx);
|
|
21
21
|
});
|
|
22
22
|
}
|
|
23
|
-
exports.parse = parse;
|
|
@@ -6,7 +6,7 @@
|
|
|
6
6
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* @author Alexander Rose <alexander.rose@weirdbyte.de>
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*/
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Object.defineProperty(exports, "__esModule", { value: true });
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9
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-
exports.parsePDB =
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9
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+
exports.parsePDB = parsePDB;
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const mol_task_1 = require("../../../mol-task");
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const result_1 = require("../result");
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const tokenizer_1 = require("../common/text/tokenizer");
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@@ -17,4 +17,3 @@ function parsePDB(data, id, isPdbqt = false) {
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isPdbqt
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}));
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}
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-
exports.parsePDB = parsePDB;
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@@ -5,7 +5,7 @@
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* @author Alexander Rose <alexander.rose@weirdbyte.de>
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*/
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Object.defineProperty(exports, "__esModule", { value: true });
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8
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-
exports.parsePly =
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8
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+
exports.parsePly = parsePly;
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const result_1 = require("../result");
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const mol_task_1 = require("../../../mol-task");
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const schema_1 = require("./schema");
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@@ -237,4 +237,3 @@ function parsePly(data) {
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return await parseInternal(data, ctx);
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});
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}
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-
exports.parsePly = parsePly;
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@@ -24,7 +24,7 @@ export declare const PlyTypeByteLength: {
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};
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export type PlyType = keyof typeof PlyTypeByteLength;
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export declare const PlyTypes: Set<string>;
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27
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-
export declare function PlyType(str: string):
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+
export declare function PlyType(str: string): PlyType;
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export interface PlyFile {
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readonly comments: ReadonlyArray<string>;
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readonly elementNames: ReadonlyArray<string>;
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