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
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- 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
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.apply(transforms_1.StateTransforms.Representation.StructureSelectionsLabel3D,
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.apply(transforms_1.StateTransforms.Representation.StructureSelectionsLabel3D, tslib_1.__assign(tslib_1.__assign({ textColor: this.state.options.textColor }, options === null || options === void 0 ? void 0 : options.labelParams), options === null || options === void 0 ? void 0 : options.visualParams), { tags: options === null || options === void 0 ? void 0 : options.reprTags });
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tslib_1.__extends(StructureSelectionManager, _super);
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this.plugin.runTask(mol_task_1.Task.create('Structure Selection', function (runtime) { return
|
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this.plugin.runTask(mol_task_1.Task.create('Structure Selection', function (runtime) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
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_i = 0, _a = this.applicableStructures;
|
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tslib_1.__extends(VolumeHierarchyManager, _super);
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@@ -1,5 +1,5 @@
|
|
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1
1
|
/**
|
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* Copyright (c) 2018-
|
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|
+
* Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
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|
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|
*
|
|
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* @author David Sehnal <david.sehnal@gmail.com>
|
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5
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|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
@@ -23,6 +23,8 @@ import { CubeFile } from '../mol-io/reader/cube/parser';
|
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import { DxFile } from '../mol-io/reader/dx/parser';
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import { Color } from '../mol-util/color/color';
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|
import { Asset } from '../mol-util/assets';
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+
import { PrmtopFile } from '../mol-io/reader/prmtop/parser';
|
|
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import { TopFile } from '../mol-io/reader/top/parser';
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|
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export declare type TypeClass = 'root' | 'data' | 'prop';
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|
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|
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|
|
@@ -313,6 +315,50 @@ export declare namespace PluginStateObject {
|
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};
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|
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export class Psf extends Psf_base {
|
|
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}
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|
+
const Prmtop_base: {
|
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new (data: PrmtopFile, props?: {
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label: string;
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description?: string | undefined;
|
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|
+
} | undefined): {
|
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|
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id: import("../mol-util/uuid").UUID;
|
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type: TypeInfo;
|
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label: string;
|
|
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description?: string | undefined;
|
|
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|
+
data: PrmtopFile;
|
|
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|
+
};
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|
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type: TypeInfo;
|
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|
+
is(obj?: StateObject<any, StateObject.Type<any>> | undefined): obj is {
|
|
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|
+
id: import("../mol-util/uuid").UUID;
|
|
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|
+
type: TypeInfo;
|
|
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|
+
label: string;
|
|
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|
+
description?: string | undefined;
|
|
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|
+
data: PrmtopFile;
|
|
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|
+
};
|
|
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|
+
};
|
|
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|
+
export class Prmtop extends Prmtop_base {
|
|
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|
+
}
|
|
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|
+
const Top_base: {
|
|
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|
+
new (data: TopFile, props?: {
|
|
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|
+
label: string;
|
|
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|
+
description?: string | undefined;
|
|
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|
+
} | undefined): {
|
|
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|
+
id: import("../mol-util/uuid").UUID;
|
|
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|
+
type: TypeInfo;
|
|
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|
+
label: string;
|
|
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|
+
description?: string | undefined;
|
|
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|
+
data: TopFile;
|
|
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|
+
};
|
|
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|
+
type: TypeInfo;
|
|
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|
+
is(obj?: StateObject<any, StateObject.Type<any>> | undefined): obj is {
|
|
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|
+
id: import("../mol-util/uuid").UUID;
|
|
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|
+
type: TypeInfo;
|
|
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|
+
label: string;
|
|
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|
+
description?: string | undefined;
|
|
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|
+
data: TopFile;
|
|
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|
+
};
|
|
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|
+
};
|
|
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|
+
export class Top extends Top_base {
|
|
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|
+
}
|
|
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|
const Ply_base: {
|
|
317
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|
new (data: PlyFile, props?: {
|
|
318
364
|
label: string;
|
|
@@ -1,6 +1,6 @@
|
|
|
1
1
|
"use strict";
|
|
2
2
|
/**
|
|
3
|
-
* Copyright (c) 2018-
|
|
3
|
+
* Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
4
4
|
*
|
|
5
5
|
* @author David Sehnal <david.sehnal@gmail.com>
|
|
6
6
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
@@ -21,15 +21,15 @@ var PluginStateObject;
|
|
|
21
21
|
}
|
|
22
22
|
PluginStateObject.isBehavior = isBehavior;
|
|
23
23
|
function CreateRepresentation3D(type) {
|
|
24
|
-
return PluginStateObject.Create(
|
|
24
|
+
return PluginStateObject.Create(tslib_1.__assign(tslib_1.__assign({}, type), { typeClass: 'Representation3D' }));
|
|
25
25
|
}
|
|
26
26
|
PluginStateObject.CreateRepresentation3D = CreateRepresentation3D;
|
|
27
27
|
function CreateBehavior(type) {
|
|
28
|
-
return PluginStateObject.Create(
|
|
28
|
+
return PluginStateObject.Create(tslib_1.__assign(tslib_1.__assign({}, type), { typeClass: 'Behavior' }));
|
|
29
29
|
}
|
|
30
30
|
PluginStateObject.CreateBehavior = CreateBehavior;
|
|
31
31
|
var Root = /** @class */ (function (_super) {
|
|
32
|
-
|
|
32
|
+
tslib_1.__extends(Root, _super);
|
|
33
33
|
function Root() {
|
|
34
34
|
return _super !== null && _super.apply(this, arguments) || this;
|
|
35
35
|
}
|
|
@@ -37,7 +37,7 @@ var PluginStateObject;
|
|
|
37
37
|
}(PluginStateObject.Create({ name: 'Root', typeClass: 'Root' })));
|
|
38
38
|
PluginStateObject.Root = Root;
|
|
39
39
|
var Group = /** @class */ (function (_super) {
|
|
40
|
-
|
|
40
|
+
tslib_1.__extends(Group, _super);
|
|
41
41
|
function Group() {
|
|
42
42
|
return _super !== null && _super.apply(this, arguments) || this;
|
|
43
43
|
}
|
|
@@ -47,7 +47,7 @@ var PluginStateObject;
|
|
|
47
47
|
var Data;
|
|
48
48
|
(function (Data) {
|
|
49
49
|
var String = /** @class */ (function (_super) {
|
|
50
|
-
|
|
50
|
+
tslib_1.__extends(String, _super);
|
|
51
51
|
function String() {
|
|
52
52
|
return _super !== null && _super.apply(this, arguments) || this;
|
|
53
53
|
}
|
|
@@ -55,7 +55,7 @@ var PluginStateObject;
|
|
|
55
55
|
}(PluginStateObject.Create({ name: 'String Data', typeClass: 'Data', })));
|
|
56
56
|
Data.String = String;
|
|
57
57
|
var Binary = /** @class */ (function (_super) {
|
|
58
|
-
|
|
58
|
+
tslib_1.__extends(Binary, _super);
|
|
59
59
|
function Binary() {
|
|
60
60
|
return _super !== null && _super.apply(this, arguments) || this;
|
|
61
61
|
}
|
|
@@ -63,7 +63,7 @@ var PluginStateObject;
|
|
|
63
63
|
}(PluginStateObject.Create({ name: 'Binary Data', typeClass: 'Data' })));
|
|
64
64
|
Data.Binary = Binary;
|
|
65
65
|
var Blob = /** @class */ (function (_super) {
|
|
66
|
-
|
|
66
|
+
tslib_1.__extends(Blob, _super);
|
|
67
67
|
function Blob() {
|
|
68
68
|
return _super !== null && _super.apply(this, arguments) || this;
|
|
69
69
|
}
|
|
@@ -74,7 +74,7 @@ var PluginStateObject;
|
|
|
74
74
|
var Format;
|
|
75
75
|
(function (Format) {
|
|
76
76
|
var Json = /** @class */ (function (_super) {
|
|
77
|
-
|
|
77
|
+
tslib_1.__extends(Json, _super);
|
|
78
78
|
function Json() {
|
|
79
79
|
return _super !== null && _super.apply(this, arguments) || this;
|
|
80
80
|
}
|
|
@@ -82,7 +82,7 @@ var PluginStateObject;
|
|
|
82
82
|
}(PluginStateObject.Create({ name: 'JSON Data', typeClass: 'Data' })));
|
|
83
83
|
Format.Json = Json;
|
|
84
84
|
var Cif = /** @class */ (function (_super) {
|
|
85
|
-
|
|
85
|
+
tslib_1.__extends(Cif, _super);
|
|
86
86
|
function Cif() {
|
|
87
87
|
return _super !== null && _super.apply(this, arguments) || this;
|
|
88
88
|
}
|
|
@@ -90,7 +90,7 @@ var PluginStateObject;
|
|
|
90
90
|
}(PluginStateObject.Create({ name: 'CIF File', typeClass: 'Data' })));
|
|
91
91
|
Format.Cif = Cif;
|
|
92
92
|
var Cube = /** @class */ (function (_super) {
|
|
93
|
-
|
|
93
|
+
tslib_1.__extends(Cube, _super);
|
|
94
94
|
function Cube() {
|
|
95
95
|
return _super !== null && _super.apply(this, arguments) || this;
|
|
96
96
|
}
|
|
@@ -98,15 +98,31 @@ var PluginStateObject;
|
|
|
98
98
|
}(PluginStateObject.Create({ name: 'Cube File', typeClass: 'Data' })));
|
|
99
99
|
Format.Cube = Cube;
|
|
100
100
|
var Psf = /** @class */ (function (_super) {
|
|
101
|
-
|
|
101
|
+
tslib_1.__extends(Psf, _super);
|
|
102
102
|
function Psf() {
|
|
103
103
|
return _super !== null && _super.apply(this, arguments) || this;
|
|
104
104
|
}
|
|
105
105
|
return Psf;
|
|
106
106
|
}(PluginStateObject.Create({ name: 'PSF File', typeClass: 'Data' })));
|
|
107
107
|
Format.Psf = Psf;
|
|
108
|
+
var Prmtop = /** @class */ (function (_super) {
|
|
109
|
+
tslib_1.__extends(Prmtop, _super);
|
|
110
|
+
function Prmtop() {
|
|
111
|
+
return _super !== null && _super.apply(this, arguments) || this;
|
|
112
|
+
}
|
|
113
|
+
return Prmtop;
|
|
114
|
+
}(PluginStateObject.Create({ name: 'PRMTOP File', typeClass: 'Data' })));
|
|
115
|
+
Format.Prmtop = Prmtop;
|
|
116
|
+
var Top = /** @class */ (function (_super) {
|
|
117
|
+
tslib_1.__extends(Top, _super);
|
|
118
|
+
function Top() {
|
|
119
|
+
return _super !== null && _super.apply(this, arguments) || this;
|
|
120
|
+
}
|
|
121
|
+
return Top;
|
|
122
|
+
}(PluginStateObject.Create({ name: 'TOP File', typeClass: 'Data' })));
|
|
123
|
+
Format.Top = Top;
|
|
108
124
|
var Ply = /** @class */ (function (_super) {
|
|
109
|
-
|
|
125
|
+
tslib_1.__extends(Ply, _super);
|
|
110
126
|
function Ply() {
|
|
111
127
|
return _super !== null && _super.apply(this, arguments) || this;
|
|
112
128
|
}
|
|
@@ -114,7 +130,7 @@ var PluginStateObject;
|
|
|
114
130
|
}(PluginStateObject.Create({ name: 'PLY File', typeClass: 'Data' })));
|
|
115
131
|
Format.Ply = Ply;
|
|
116
132
|
var Ccp4 = /** @class */ (function (_super) {
|
|
117
|
-
|
|
133
|
+
tslib_1.__extends(Ccp4, _super);
|
|
118
134
|
function Ccp4() {
|
|
119
135
|
return _super !== null && _super.apply(this, arguments) || this;
|
|
120
136
|
}
|
|
@@ -122,7 +138,7 @@ var PluginStateObject;
|
|
|
122
138
|
}(PluginStateObject.Create({ name: 'CCP4/MRC/MAP File', typeClass: 'Data' })));
|
|
123
139
|
Format.Ccp4 = Ccp4;
|
|
124
140
|
var Dsn6 = /** @class */ (function (_super) {
|
|
125
|
-
|
|
141
|
+
tslib_1.__extends(Dsn6, _super);
|
|
126
142
|
function Dsn6() {
|
|
127
143
|
return _super !== null && _super.apply(this, arguments) || this;
|
|
128
144
|
}
|
|
@@ -130,7 +146,7 @@ var PluginStateObject;
|
|
|
130
146
|
}(PluginStateObject.Create({ name: 'DSN6/BRIX File', typeClass: 'Data' })));
|
|
131
147
|
Format.Dsn6 = Dsn6;
|
|
132
148
|
var Dx = /** @class */ (function (_super) {
|
|
133
|
-
|
|
149
|
+
tslib_1.__extends(Dx, _super);
|
|
134
150
|
function Dx() {
|
|
135
151
|
return _super !== null && _super.apply(this, arguments) || this;
|
|
136
152
|
}
|
|
@@ -138,7 +154,7 @@ var PluginStateObject;
|
|
|
138
154
|
}(PluginStateObject.Create({ name: 'DX File', typeClass: 'Data' })));
|
|
139
155
|
Format.Dx = Dx;
|
|
140
156
|
var Blob = /** @class */ (function (_super) {
|
|
141
|
-
|
|
157
|
+
tslib_1.__extends(Blob, _super);
|
|
142
158
|
function Blob() {
|
|
143
159
|
return _super !== null && _super.apply(this, arguments) || this;
|
|
144
160
|
}
|
|
@@ -149,7 +165,7 @@ var PluginStateObject;
|
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var Molecule;
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(function (Molecule) {
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var Coordinates = /** @class */ (function (_super) {
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tslib_1.__extends(Coordinates, _super);
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function Coordinates() {
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}(PluginStateObject.Create({ name: 'Coordinates', typeClass: 'Object' })));
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Molecule.Coordinates = Coordinates;
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var Topology = /** @class */ (function (_super) {
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tslib_1.__extends(Topology, _super);
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}(PluginStateObject.Create({ name: 'Topology', typeClass: 'Object' })));
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Molecule.Topology = Topology;
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var Model = /** @class */ (function (_super) {
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tslib_1.__extends(Model, _super);
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function Model() {
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}
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}(PluginStateObject.Create({ name: 'Model', typeClass: 'Object' })));
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var Trajectory = /** @class */ (function (_super) {
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tslib_1.__extends(Trajectory, _super);
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}(PluginStateObject.Create({ name: 'Trajectory', typeClass: 'Object' })));
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var Structure = /** @class */ (function (_super) {
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tslib_1.__extends(Structure, _super);
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function Structure() {
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}
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Molecule.Structure = Structure;
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(function (Structure) {
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var Representation3D = /** @class */ (function (_super) {
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tslib_1.__extends(Representation3D, _super);
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}
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}(CreateRepresentation3D({ name: 'Structure 3D' })));
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Structure.Representation3D = Representation3D;
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var Representation3DState = /** @class */ (function (_super) {
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tslib_1.__extends(Representation3DState, _super);
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}
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@@ -206,7 +222,7 @@ var PluginStateObject;
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}(PluginStateObject.Create({ name: 'Structure 3D State', typeClass: 'Object' })));
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Structure.Representation3DState = Representation3DState;
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var Selections = /** @class */ (function (_super) {
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tslib_1.__extends(Selections, _super);
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function Selections() {
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}
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@@ -218,7 +234,7 @@ var PluginStateObject;
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var Volume;
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(function (Volume) {
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var Data = /** @class */ (function (_super) {
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tslib_1.__extends(Data, _super);
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function Data() {
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}
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@@ -226,7 +242,7 @@ var PluginStateObject;
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}(PluginStateObject.Create({ name: 'Volume', typeClass: 'Object' })));
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Volume.Data = Data;
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var Lazy = /** @class */ (function (_super) {
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+
tslib_1.__extends(Lazy, _super);
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function Lazy() {
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return _super !== null && _super.apply(this, arguments) || this;
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}
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@@ -234,7 +250,7 @@ var PluginStateObject;
|
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|
}(PluginStateObject.Create({ name: 'Lazy Volume', typeClass: 'Object' })));
|
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|
Volume.Lazy = Lazy;
|
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|
var Representation3D = /** @class */ (function (_super) {
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|
-
|
|
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|
+
tslib_1.__extends(Representation3D, _super);
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|
function Representation3D() {
|
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|
return _super !== null && _super.apply(this, arguments) || this;
|
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|
}
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|
@@ -245,7 +261,7 @@ var PluginStateObject;
|
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|
var Shape;
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|
(function (Shape) {
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|
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|
var Provider = /** @class */ (function (_super) {
|
|
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|
-
|
|
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|
+
tslib_1.__extends(Provider, _super);
|
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|
function Provider() {
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|
return _super !== null && _super.apply(this, arguments) || this;
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|
}
|
|
@@ -253,7 +269,7 @@ var PluginStateObject;
|
|
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|
}(PluginStateObject.Create({ name: 'Shape Provider', typeClass: 'Object' })));
|
|
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|
Shape.Provider = Provider;
|
|
255
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|
var Representation3D = /** @class */ (function (_super) {
|
|
256
|
-
|
|
272
|
+
tslib_1.__extends(Representation3D, _super);
|
|
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|
function Representation3D() {
|
|
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|
return _super !== null && _super.apply(this, arguments) || this;
|
|
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|
}
|
|
@@ -16,6 +16,8 @@ export { ParseBlob };
|
|
|
16
16
|
export { ParseCif };
|
|
17
17
|
export { ParseCube };
|
|
18
18
|
export { ParsePsf };
|
|
19
|
+
export { ParsePrmtop };
|
|
20
|
+
export { ParseTop };
|
|
19
21
|
export { ParsePly };
|
|
20
22
|
export { ParseCcp4 };
|
|
21
23
|
export { ParseDsn6 };
|
|
@@ -64,6 +66,10 @@ declare type ParseCube = typeof ParseCube;
|
|
|
64
66
|
declare const ParseCube: StateTransformer<SO.Data.String, SO.Format.Cube, PD.Normalize<{}>>;
|
|
65
67
|
declare type ParsePsf = typeof ParsePsf;
|
|
66
68
|
declare const ParsePsf: StateTransformer<SO.Data.String, SO.Format.Psf, PD.Normalize<{}>>;
|
|
69
|
+
declare type ParsePrmtop = typeof ParsePrmtop;
|
|
70
|
+
declare const ParsePrmtop: StateTransformer<SO.Data.String, SO.Format.Prmtop, PD.Normalize<{}>>;
|
|
71
|
+
declare type ParseTop = typeof ParseTop;
|
|
72
|
+
declare const ParseTop: StateTransformer<SO.Data.String, SO.Format.Top, PD.Normalize<{}>>;
|
|
67
73
|
declare type ParsePly = typeof ParsePly;
|
|
68
74
|
declare const ParsePly: StateTransformer<SO.Data.String, SO.Format.Ply, PD.Normalize<{}>>;
|
|
69
75
|
declare type ParseCcp4 = typeof ParseCcp4;
|