molstar 2.3.7 → 2.3.8
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 -2
- package/build/viewer/molstar.js +1 -1
- package/lib/apps/docking-viewer/index.js +1 -1
- package/lib/apps/docking-viewer/index.js.map +1 -1
- package/lib/apps/viewer/index.d.ts +1 -1
- package/lib/apps/viewer/index.js +3 -3
- package/lib/apps/viewer/index.js.map +1 -1
- package/lib/cli/chem-comp-dict/create-ions.js +1 -1
- package/lib/cli/chem-comp-dict/create-ions.js.map +1 -1
- package/lib/cli/chem-comp-dict/create-table.js +3 -3
- package/lib/cli/chem-comp-dict/create-table.js.map +1 -1
- package/lib/cli/chem-comp-dict/util.js +2 -2
- package/lib/cli/chem-comp-dict/util.js.map +1 -1
- package/lib/cli/cif2bcif/converter.js +2 -2
- package/lib/cli/cif2bcif/converter.js.map +1 -1
- package/lib/cli/cifschema/index.js +12 -12
- package/lib/cli/cifschema/index.js.map +1 -1
- package/lib/cli/cifschema/util/cif-dic.js +19 -19
- package/lib/cli/cifschema/util/cif-dic.js.map +1 -1
- package/lib/cli/cifschema/util/generate.js +21 -21
- package/lib/cli/cifschema/util/generate.js.map +1 -1
- package/lib/cli/cifschema/util/schema.js +1 -1
- package/lib/cli/cifschema/util/schema.js.map +1 -1
- package/lib/cli/lipid-params/index.js +3 -3
- package/lib/cli/lipid-params/index.js.map +1 -1
- package/lib/cli/state-docs/index.js +4 -4
- package/lib/cli/state-docs/index.js.map +1 -1
- package/lib/cli/state-docs/pd-to-md.js +10 -10
- package/lib/cli/state-docs/pd-to-md.js.map +1 -1
- package/lib/cli/structure-info/model.js +18 -18
- package/lib/cli/structure-info/model.js.map +1 -1
- package/lib/cli/structure-info/volume.js +1 -1
- package/lib/cli/structure-info/volume.js.map +1 -1
- package/lib/commonjs/apps/docking-viewer/index.js +1 -1
- package/lib/commonjs/apps/docking-viewer/index.js.map +1 -1
- package/lib/commonjs/apps/docking-viewer/viewport.d.ts +2 -2
- package/lib/commonjs/apps/viewer/index.d.ts +7 -7
- package/lib/commonjs/apps/viewer/index.js +3 -3
- package/lib/commonjs/apps/viewer/index.js.map +1 -1
- package/lib/commonjs/cli/chem-comp-dict/create-ions.js +1 -1
- package/lib/commonjs/cli/chem-comp-dict/create-ions.js.map +1 -1
- package/lib/commonjs/cli/chem-comp-dict/create-table.js +3 -3
- package/lib/commonjs/cli/chem-comp-dict/create-table.js.map +1 -1
- package/lib/commonjs/cli/chem-comp-dict/util.d.ts +4 -4
- package/lib/commonjs/cli/chem-comp-dict/util.js +2 -2
- package/lib/commonjs/cli/chem-comp-dict/util.js.map +1 -1
- package/lib/commonjs/cli/cif2bcif/converter.js +2 -2
- package/lib/commonjs/cli/cif2bcif/converter.js.map +1 -1
- package/lib/commonjs/cli/cifschema/index.js +12 -12
- package/lib/commonjs/cli/cifschema/index.js.map +1 -1
- package/lib/commonjs/cli/cifschema/util/cif-dic.js +19 -19
- package/lib/commonjs/cli/cifschema/util/cif-dic.js.map +1 -1
- package/lib/commonjs/cli/cifschema/util/generate.js +21 -21
- package/lib/commonjs/cli/cifschema/util/generate.js.map +1 -1
- package/lib/commonjs/cli/cifschema/util/schema.js +1 -1
- package/lib/commonjs/cli/cifschema/util/schema.js.map +1 -1
- package/lib/commonjs/cli/lipid-params/index.js +3 -3
- package/lib/commonjs/cli/lipid-params/index.js.map +1 -1
- package/lib/commonjs/cli/state-docs/index.js +4 -4
- package/lib/commonjs/cli/state-docs/index.js.map +1 -1
- package/lib/commonjs/cli/state-docs/pd-to-md.js +10 -10
- package/lib/commonjs/cli/state-docs/pd-to-md.js.map +1 -1
- package/lib/commonjs/cli/structure-info/model.js +18 -18
- package/lib/commonjs/cli/structure-info/model.js.map +1 -1
- package/lib/commonjs/cli/structure-info/volume.js +1 -1
- package/lib/commonjs/cli/structure-info/volume.js.map +1 -1
- package/lib/commonjs/examples/basic-wrapper/superposition.js +3 -3
- package/lib/commonjs/examples/basic-wrapper/superposition.js.map +1 -1
- package/lib/commonjs/examples/domain-annotation-server/mapping.js +2 -2
- package/lib/commonjs/examples/domain-annotation-server/mapping.js.map +1 -1
- package/lib/commonjs/examples/domain-annotation-server/server.js +3 -3
- package/lib/commonjs/examples/domain-annotation-server/server.js.map +1 -1
- package/lib/commonjs/examples/proteopedia-wrapper/annotation.js +3 -3
- package/lib/commonjs/examples/proteopedia-wrapper/annotation.js.map +1 -1
- package/lib/commonjs/examples/proteopedia-wrapper/helpers.js +1 -1
- package/lib/commonjs/examples/proteopedia-wrapper/helpers.js.map +1 -1
- package/lib/commonjs/examples/proteopedia-wrapper/index.js +2 -2
- package/lib/commonjs/examples/proteopedia-wrapper/index.js.map +1 -1
- package/lib/commonjs/examples/task.js +6 -6
- package/lib/commonjs/examples/task.js.map +1 -1
- package/lib/commonjs/extensions/alpha-orbitals/transforms.js +2 -2
- package/lib/commonjs/extensions/alpha-orbitals/transforms.js.map +1 -1
- package/lib/commonjs/extensions/anvil/behavior.d.ts +2 -2
- package/lib/commonjs/extensions/anvil/representation.d.ts +5 -5
- package/lib/commonjs/extensions/anvil/representation.js +1 -1
- package/lib/commonjs/extensions/anvil/representation.js.map +1 -1
- package/lib/commonjs/extensions/cellpack/model.js +15 -15
- package/lib/commonjs/extensions/cellpack/model.js.map +1 -1
- package/lib/commonjs/extensions/cellpack/representation.d.ts +2 -2
- package/lib/commonjs/extensions/cellpack/state.js +5 -5
- package/lib/commonjs/extensions/cellpack/state.js.map +1 -1
- package/lib/commonjs/extensions/cellpack/util.js +4 -4
- package/lib/commonjs/extensions/cellpack/util.js.map +1 -1
- package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.d.ts +1 -1
- package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.d.ts +6 -6
- package/lib/commonjs/extensions/dnatco/confal-pyramids/util.js +7 -7
- package/lib/commonjs/extensions/dnatco/confal-pyramids/util.js.map +1 -1
- package/lib/commonjs/extensions/g3d/data.js +2 -2
- package/lib/commonjs/extensions/g3d/data.js.map +1 -1
- package/lib/commonjs/extensions/g3d/model.js +2 -2
- package/lib/commonjs/extensions/g3d/model.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/controls.js +2 -2
- package/lib/commonjs/extensions/geo-export/controls.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/glb-exporter.js +1 -1
- package/lib/commonjs/extensions/geo-export/glb-exporter.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/obj-exporter.js +3 -3
- package/lib/commonjs/extensions/geo-export/obj-exporter.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/stl-exporter.js +1 -1
- package/lib/commonjs/extensions/geo-export/stl-exporter.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/usdz-exporter.js +5 -5
- package/lib/commonjs/extensions/geo-export/usdz-exporter.js.map +1 -1
- package/lib/commonjs/extensions/mp4-export/controls.js +1 -1
- package/lib/commonjs/extensions/mp4-export/controls.js.map +1 -1
- package/lib/commonjs/extensions/pdbe/structure-quality-report/behavior.js +1 -1
- package/lib/commonjs/extensions/pdbe/structure-quality-report/behavior.js.map +1 -1
- package/lib/commonjs/extensions/pdbe/structure-quality-report/prop.js +1 -1
- package/lib/commonjs/extensions/pdbe/structure-quality-report/prop.js.map +1 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.d.ts +6 -6
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.js +3 -3
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.js.map +1 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js +1 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js.map +1 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/prop.js +2 -2
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/prop.js.map +1 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.d.ts +1 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.js +7 -7
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.js.map +1 -1
- package/lib/commonjs/extensions/rcsb/validation-report/behavior.d.ts +3 -3
- package/lib/commonjs/extensions/rcsb/validation-report/behavior.js +11 -11
- package/lib/commonjs/extensions/rcsb/validation-report/behavior.js.map +1 -1
- package/lib/commonjs/extensions/rcsb/validation-report/prop.js +2 -2
- package/lib/commonjs/extensions/rcsb/validation-report/prop.js.map +1 -1
- package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +10 -10
- package/lib/commonjs/extensions/rcsb/validation-report/representation.js +2 -2
- package/lib/commonjs/extensions/rcsb/validation-report/representation.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +8 -8
- package/lib/commonjs/mol-canvas3d/canvas3d.js +3 -3
- package/lib/commonjs/mol-canvas3d/canvas3d.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/controls/trackball.d.ts +2 -2
- package/lib/commonjs/mol-canvas3d/helper/camera-helper.d.ts +3 -3
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.d.ts +1 -1
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.js +1 -1
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/passes/image.d.ts +2 -2
- package/lib/commonjs/mol-canvas3d/passes/wboit.js +1 -1
- package/lib/commonjs/mol-canvas3d/passes/wboit.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/util.js +1 -1
- package/lib/commonjs/mol-canvas3d/util.js.map +1 -1
- package/lib/commonjs/mol-data/db/table.js +1 -1
- package/lib/commonjs/mol-data/db/table.js.map +1 -1
- package/lib/commonjs/mol-data/int/_spec/sorted-ranges.spec.js +1 -1
- package/lib/commonjs/mol-data/int/_spec/sorted-ranges.spec.js.map +1 -1
- package/lib/commonjs/mol-data/int/impl/ordered-set.d.ts +3 -3
- package/lib/commonjs/mol-data/int/impl/sorted-array.d.ts +1 -1
- package/lib/commonjs/mol-data/int/impl/sorted-array.js +2 -2
- package/lib/commonjs/mol-data/int/impl/sorted-array.js.map +1 -1
- package/lib/commonjs/mol-data/int/tuple.js +1 -1
- package/lib/commonjs/mol-data/int/tuple.js.map +1 -1
- package/lib/commonjs/mol-data/util/_spec/interval-iterator.spec.js +1 -1
- package/lib/commonjs/mol-data/util/_spec/interval-iterator.spec.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/base.d.ts +3 -3
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/image/image.d.ts +3 -3
- package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +1 -1
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/points/points.d.ts +3 -3
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/text/font-atlas.js +1 -1
- package/lib/commonjs/mol-geo/geometry/text/font-atlas.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/text/text.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +1 -1
- package/lib/commonjs/mol-geo/primitive/polyhedron.js +1 -1
- package/lib/commonjs/mol-geo/primitive/polyhedron.js.map +1 -1
- package/lib/commonjs/mol-gl/_spec/gl.shim.js +4 -4
- package/lib/commonjs/mol-gl/_spec/gl.shim.js.map +1 -1
- package/lib/commonjs/mol-gl/compute/grid3d.js +3 -3
- package/lib/commonjs/mol-gl/compute/grid3d.js.map +1 -1
- package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js +4 -4
- package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js.map +1 -1
- package/lib/commonjs/mol-gl/renderable/util.js +1 -1
- package/lib/commonjs/mol-gl/renderable/util.js.map +1 -1
- package/lib/commonjs/mol-gl/renderer.d.ts +2 -2
- package/lib/commonjs/mol-gl/scene.js +1 -1
- package/lib/commonjs/mol-gl/scene.js.map +1 -1
- package/lib/commonjs/mol-gl/shader-code.js +8 -8
- package/lib/commonjs/mol-gl/shader-code.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/buffer.d.ts +3 -2
- package/lib/commonjs/mol-gl/webgl/buffer.js +5 -5
- package/lib/commonjs/mol-gl/webgl/buffer.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/compat.js +3 -3
- package/lib/commonjs/mol-gl/webgl/compat.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/context.d.ts +1 -1
- package/lib/commonjs/mol-gl/webgl/context.js +2 -2
- package/lib/commonjs/mol-gl/webgl/context.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/framebuffer.js +1 -1
- package/lib/commonjs/mol-gl/webgl/framebuffer.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/program.d.ts +1 -1
- package/lib/commonjs/mol-gl/webgl/program.js +14 -12
- package/lib/commonjs/mol-gl/webgl/program.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/render-item.d.ts +3 -2
- package/lib/commonjs/mol-gl/webgl/render-item.js +6 -3
- package/lib/commonjs/mol-gl/webgl/render-item.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/resources.js +1 -1
- package/lib/commonjs/mol-gl/webgl/resources.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/shader.js +3 -3
- package/lib/commonjs/mol-gl/webgl/shader.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/state.d.ts +4 -1
- package/lib/commonjs/mol-gl/webgl/state.js +25 -1
- package/lib/commonjs/mol-gl/webgl/state.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/texture.js +2 -2
- package/lib/commonjs/mol-gl/webgl/texture.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/uniform.js +2 -2
- package/lib/commonjs/mol-gl/webgl/uniform.js.map +1 -1
- package/lib/commonjs/mol-io/common/file-handle.js +1 -1
- package/lib/commonjs/mol-io/common/file-handle.js.map +1 -1
- package/lib/commonjs/mol-io/common/typed-array.js +1 -1
- package/lib/commonjs/mol-io/common/typed-array.js.map +1 -1
- package/lib/commonjs/mol-io/reader/ccp4/parser.js +1 -1
- package/lib/commonjs/mol-io/reader/ccp4/parser.js.map +1 -1
- package/lib/commonjs/mol-io/reader/cif/binary/parser.js +1 -1
- package/lib/commonjs/mol-io/reader/cif/binary/parser.js.map +1 -1
- package/lib/commonjs/mol-io/reader/cif/data-model.js +7 -7
- package/lib/commonjs/mol-io/reader/cif/data-model.js.map +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/ccd.d.ts +2 -2
- package/lib/commonjs/mol-io/reader/cif/schema/density-server.d.ts +2 -2
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif-extras.d.ts +3 -3
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif.d.ts +14 -14
- package/lib/commonjs/mol-io/reader/cif/schema.js +7 -7
- package/lib/commonjs/mol-io/reader/cif/schema.js.map +1 -1
- package/lib/commonjs/mol-io/reader/cif/text/parser.js +2 -2
- package/lib/commonjs/mol-io/reader/cif/text/parser.js.map +1 -1
- package/lib/commonjs/mol-io/reader/dcd/parser.js +2 -2
- package/lib/commonjs/mol-io/reader/dcd/parser.js.map +1 -1
- package/lib/commonjs/mol-io/reader/ply/schema.d.ts +1 -1
- package/lib/commonjs/mol-io/reader/ply/schema.js +1 -1
- package/lib/commonjs/mol-io/reader/ply/schema.js.map +1 -1
- package/lib/commonjs/mol-io/reader/result.js +1 -1
- package/lib/commonjs/mol-io/reader/result.js.map +1 -1
- package/lib/commonjs/mol-io/writer/cif/encoder/text.js +3 -3
- package/lib/commonjs/mol-io/writer/cif/encoder/text.js.map +1 -1
- package/lib/commonjs/mol-io/writer/cif/encoder.js +5 -5
- package/lib/commonjs/mol-io/writer/cif/encoder.js.map +1 -1
- package/lib/commonjs/mol-io/writer/mol/encoder.js +4 -4
- package/lib/commonjs/mol-io/writer/mol/encoder.js.map +1 -1
- package/lib/commonjs/mol-io/writer/mol2/encoder.js +6 -6
- package/lib/commonjs/mol-io/writer/mol2/encoder.js.map +1 -1
- package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.js +1 -1
- package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.js.map +1 -1
- package/lib/commonjs/mol-math/geometry/spacegroup/construction.js +8 -8
- package/lib/commonjs/mol-math/geometry/spacegroup/construction.js.map +1 -1
- package/lib/commonjs/mol-math/geometry/spacegroup/tables.js +1 -1
- package/lib/commonjs/mol-math/geometry/spacegroup/tables.js.map +1 -1
- package/lib/commonjs/mol-math/geometry/symmetry-operator.js +4 -4
- package/lib/commonjs/mol-math/geometry/symmetry-operator.js.map +1 -1
- package/lib/commonjs/mol-math/graph/inter-unit-graph.js +2 -2
- package/lib/commonjs/mol-math/graph/inter-unit-graph.js.map +1 -1
- package/lib/commonjs/mol-math/linear-algebra/3d/quat.js +1 -1
- package/lib/commonjs/mol-math/linear-algebra/3d/quat.js.map +1 -1
- package/lib/commonjs/mol-math/linear-algebra/3d/vec2.js +1 -1
- package/lib/commonjs/mol-math/linear-algebra/3d/vec2.js.map +1 -1
- package/lib/commonjs/mol-math/linear-algebra/3d/vec3.js +1 -1
- package/lib/commonjs/mol-math/linear-algebra/3d/vec3.js.map +1 -1
- package/lib/commonjs/mol-math/linear-algebra/3d/vec4.js +1 -1
- package/lib/commonjs/mol-math/linear-algebra/3d/vec4.js.map +1 -1
- package/lib/commonjs/mol-model/loci.d.ts +20 -20
- package/lib/commonjs/mol-model/sequence/sequence.js +2 -2
- package/lib/commonjs/mol-model/sequence/sequence.js.map +1 -1
- package/lib/commonjs/mol-model/shape/shape.d.ts +1 -1
- package/lib/commonjs/mol-model/structure/export/categories/atom_site.js +2 -2
- package/lib/commonjs/mol-model/structure/export/categories/atom_site.js.map +1 -1
- package/lib/commonjs/mol-model/structure/export/categories/atom_site_operator_mapping.js +1 -1
- package/lib/commonjs/mol-model/structure/export/categories/atom_site_operator_mapping.js.map +1 -1
- package/lib/commonjs/mol-model/structure/export/categories/secondary-structure.js +1 -1
- package/lib/commonjs/mol-model/structure/export/categories/secondary-structure.js.map +1 -1
- package/lib/commonjs/mol-model/structure/export/mmcif.js +1 -1
- package/lib/commonjs/mol-model/structure/export/mmcif.js.map +1 -1
- package/lib/commonjs/mol-model/structure/model/properties/atomic/bonds.js +2 -2
- package/lib/commonjs/mol-model/structure/model/properties/atomic/bonds.js.map +1 -1
- package/lib/commonjs/mol-model/structure/model/properties/symmetry.js +3 -3
- package/lib/commonjs/mol-model/structure/model/properties/symmetry.js.map +1 -1
- package/lib/commonjs/mol-model/structure/model/properties/utils/atomic-index.js +2 -2
- package/lib/commonjs/mol-model/structure/model/properties/utils/atomic-index.js.map +1 -1
- package/lib/commonjs/mol-model/structure/model/properties/utils/coarse-keys.js +1 -1
- package/lib/commonjs/mol-model/structure/model/properties/utils/coarse-keys.js.map +1 -1
- package/lib/commonjs/mol-model/structure/model/properties/utils/residue-set.js +1 -1
- package/lib/commonjs/mol-model/structure/model/properties/utils/residue-set.js.map +1 -1
- package/lib/commonjs/mol-model/structure/query/context.js +1 -1
- package/lib/commonjs/mol-model/structure/query/context.js.map +1 -1
- package/lib/commonjs/mol-model/structure/structure/carbohydrates/compute.js +1 -1
- package/lib/commonjs/mol-model/structure/structure/carbohydrates/compute.js.map +1 -1
- package/lib/commonjs/mol-model/structure/structure/element/loci.js +2 -2
- package/lib/commonjs/mol-model/structure/structure/element/loci.js.map +1 -1
- package/lib/commonjs/mol-model/structure/structure/element/util.js +1 -1
- package/lib/commonjs/mol-model/structure/structure/element/util.js.map +1 -1
- package/lib/commonjs/mol-model/structure/structure/properties.d.ts +2 -2
- package/lib/commonjs/mol-model/structure/structure/properties.js +1 -1
- package/lib/commonjs/mol-model/structure/structure/properties.js.map +1 -1
- package/lib/commonjs/mol-model/structure/structure/structure.js +1 -1
- package/lib/commonjs/mol-model/structure/structure/structure.js.map +1 -1
- package/lib/commonjs/mol-model/structure/structure/symmetry.js +3 -3
- package/lib/commonjs/mol-model/structure/structure/symmetry.js.map +1 -1
- package/lib/commonjs/mol-model/structure/structure/unit.d.ts +4 -4
- package/lib/commonjs/mol-model/structure/structure/util/superposition-db-mapping.js +1 -1
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1
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+
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@@ -109,5 +109,5 @@ parser.add_argument('--mesh', {
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109
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required: true
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110
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});
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111
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var args = parser.parse_args();
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112
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-
run("https://ds.litemol.org/em/emd-"
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+
run("https://ds.litemol.org/em/emd-".concat(args.emdb, "/cell?detail=4"), args.mesh);
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113
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//# sourceMappingURL=volume.js.map
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@@ -1 +1 @@
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1
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-
{"version":3,"file":"volume.js","sourceRoot":"","sources":["../../../src/cli/structure-info/volume.ts"],"names":[],"mappings":";AACA;;;;GAIG;;AAEH,OAAO,KAAK,EAAE,MAAM,IAAI,CAAC;AACzB,OAAO,KAAK,QAAQ,MAAM,UAAU,CAAC;AACrC,OAAO,KAAK,IAAI,MAAM,MAAM,CAAC;AAE7B,OAAO,EAAE,MAAM,EAAE,MAAM,wBAAwB,CAAC;AAChD,OAAO,EAAE,WAAW,EAAE,MAAM,WAAW,CAAC;AACxC,OAAO,EAAE,GAAG,EAAE,MAAM,yBAAyB,CAAC;AAC9C,OAAO,EAAE,KAAK,EAAE,MAAM,mBAAmB,CAAC;AAC1C,OAAO,EAAE,aAAa,EAAE,MAAM,gBAAgB,CAAC;AAC/C,OAAO,EAAE,IAAI,EAAE,MAAM,gBAAgB,CAAC;AACtC,OAAO,EAAE,0BAA0B,EAAE,MAAM,kCAAkC,CAAC;AAC9E,OAAO,EAAE,KAAK,EAAE,MAAM,uBAAuB,CAAC;AAC9C,OAAO,EAAE,2BAA2B,EAAE,WAAW,EAAE,MAAM,+CAA+C,CAAC;AAEzG,OAAO,CAAC,gBAAgB,CAAC,CAAC,IAAI,EAAE,CAAC;AACjC,IAAM,cAAc,GAAG,IAAI,CAAC,SAAS,CAAC,EAAE,CAAC,SAAS,CAAC,CAAC;AAEpD,SAAe,SAAS,CAAC,GAAW;;;;;wBACpB,qBAAM,WAAW,CAAC,GAAG,EAAE,IAAI,CAAC,EAAA;;oBAAlC,GAAG,GAAG,SAA4B;oBAClC,IAAI,GAAG,GAAG,CAAC,MAAM,CAAC,aAAa,CAAC,GAAG,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,CAAC;oBAC9C,qBAAM,2BAA2B,CAAC,IAAI,CAAC,CAAC,GAAG,EAAE,EAAA;wBAApD,sBAAO,SAA6C,EAAC;;;;CACxD;AAED,SAAS,KAAK,CAAC,MAAc;IACzB,IAAI,CAAC,WAAW,CAAC,EAAE,CAAC,MAAM,CAAC,UAAU,CAAC;QAAE,OAAO;IACvC,IAAA,mBAAmB,GAAK,MAAM,CAAC,UAAU,CAAC,IAAI,oBAA3B,CAA4B;IACvD,IAAM,GAAG,GAAG,KAAK,CAAC,MAAM,CAAC,mBAAmB,EAAE,CAAC,CAAC,CAAC;IACjD,OAAO,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC;IACjB,OAAO,CAAC,GAAG,CAAC,MAAM,CAAC,IAAI,CAAC,SAAS,CAAC,CAAC;IACnC,OAAO,CAAC,GAAG,CAAC,MAAM,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;AACnC,CAAC;AAED,SAAe,MAAM,CAAC,MAAc,EAAE,QAAgB;;;;;wBACrC,qBAAM,IAAI,CAAC,MAAM,CAAC,EAAE,EAAE,UAAA,OAAO,IAAI,OAAA,0BAA0B,CAAC,EAAE,OAAO,SAAA,EAAE,EAAE,MAAM,EAAE,KAAK,CAAC,WAAW,EAAE,EAAE,EAAE,QAAQ,EAAE,MAAM,CAAC,QAAQ,CAAC,QAAQ,CAAC,GAAG,CAAC,EAAE,CAAC,EAAjH,CAAiH,CAAC,CAAC,GAAG,EAAE,EAAA;;oBAAhK,IAAI,GAAG,SAAyJ;oBACtK,OAAO,CAAC,GAAG,CAAC,EAAE,EAAE,EAAE,IAAI,CAAC,WAAW,EAAE,EAAE,EAAE,IAAI,CAAC,aAAa,EAAE,CAAC,CAAC;oBAGtD,WAAW,GAAoB,IAAI,YAAxB,EAAE,aAAa,GAAK,IAAI,cAAT,CAAU;oBAEtC,EAAE,GAAG,IAAI,CAAC,YAAY,CAAC,GAAG,CAAC,KAAK,CAAC;oBACjC,EAAE,GAAG,IAAI,CAAC,WAAW,CAAC,GAAG,CAAC,KAAK,CAAC;oBAEhC,GAAG,GAAG,aAAa,CAAC,MAAM,EAAE,CAAC;oBACnC,KAAS,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,WAAW,EAAE,CAAC,EAAE,EAAE;wBAClC,aAAa,CAAC,KAAK,CAAC,GAAG,EAAE,IAAI,CAAC,CAAC;wBAC/B,aAAa,CAAC,UAAU,CAAC,GAAG,EAAE,EAAE,CAAC,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,EAAE,GAAG,CAAC,CAAC;wBAClD,aAAa,CAAC,WAAW,CAAC,GAAG,CAAC,CAAC;wBAC/B,aAAa,CAAC,UAAU,CAAC,GAAG,EAAE,EAAE,CAAC,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,EAAE,GAAG,CAAC,CAAC;wBAClD,aAAa,CAAC,WAAW,CAAC,GAAG,CAAC,CAAC;wBAC/B,aAAa,CAAC,UAAU,CAAC,GAAG,EAAE,EAAE,CAAC,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,EAAE,GAAG,CAAC,CAAC;wBAClD,aAAa,CAAC,OAAO,CAAC,GAAG,CAAC,CAAC;qBAC9B;oBACD,KAAS,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,aAAa,EAAE,CAAC,EAAE,EAAE;wBACpC,aAAa,CAAC,KAAK,CAAC,GAAG,EAAE,IAAI,CAAC,CAAC;wBAC/B,aAAa,CAAC,oBAAoB,CAAC,GAAG,EAAE,EAAE,CAAC,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC;wBAC3D,aAAa,CAAC,oBAAoB,CAAC,GAAG,EAAE,EAAE,CAAC,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC;wBAC3D,aAAa,CAAC,YAAY,CAAC,GAAG,EAAE,EAAE,CAAC,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC;wBACnD,aAAa,CAAC,OAAO,CAAC,GAAG,CAAC,CAAC;qBAC9B;oBAED,qBAAM,cAAc,CAAC,QAAQ,EAAE,aAAa,CAAC,SAAS,CAAC,GAAG,CAAC,CAAC,EAAA;;oBAA5D,SAA4D,CAAC;;;;;CAChE;AAED,SAAe,GAAG,CAAC,GAAW,EAAE,YAAoB;;;;;wBACjC,qBAAM,SAAS,CAAC,GAAG,CAAC,EAAA;;oBAA7B,MAAM,GAAG,SAAoB;oBACnC,KAAK,CAAC,MAAM,CAAC,CAAC;oBACd,qBAAM,MAAM,CAAC,MAAM,EAAE,YAAY,CAAC,EAAA;;oBAAlC,SAAkC,CAAC;;;;;CACtC;AAED,IAAM,MAAM,GAAG,IAAI,QAAQ,CAAC,cAAc,CAAC;IACvC,QAAQ,EAAE,IAAI;IACd,WAAW,EAAE,6CAA6C;CAC7D,CAAC,CAAC;AACH,MAAM,CAAC,YAAY,CAAC,QAAQ,EAAE,IAAI,EAAE;IAChC,IAAI,EAAE,2BAA2B;CACpC,CAAC,CAAC;AACH,MAAM,CAAC,YAAY,CAAC,QAAQ,EAAE;IAC1B,IAAI,EAAE,eAAe;IACrB,QAAQ,EAAE,IAAI;CACjB,CAAC,CAAC;AAKH,IAAM,IAAI,GAAS,MAAM,CAAC,UAAU,EAAE,CAAC;AAEvC,GAAG,CAAC,
|
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1
|
+
{"version":3,"file":"volume.js","sourceRoot":"","sources":["../../../src/cli/structure-info/volume.ts"],"names":[],"mappings":";AACA;;;;GAIG;;AAEH,OAAO,KAAK,EAAE,MAAM,IAAI,CAAC;AACzB,OAAO,KAAK,QAAQ,MAAM,UAAU,CAAC;AACrC,OAAO,KAAK,IAAI,MAAM,MAAM,CAAC;AAE7B,OAAO,EAAE,MAAM,EAAE,MAAM,wBAAwB,CAAC;AAChD,OAAO,EAAE,WAAW,EAAE,MAAM,WAAW,CAAC;AACxC,OAAO,EAAE,GAAG,EAAE,MAAM,yBAAyB,CAAC;AAC9C,OAAO,EAAE,KAAK,EAAE,MAAM,mBAAmB,CAAC;AAC1C,OAAO,EAAE,aAAa,EAAE,MAAM,gBAAgB,CAAC;AAC/C,OAAO,EAAE,IAAI,EAAE,MAAM,gBAAgB,CAAC;AACtC,OAAO,EAAE,0BAA0B,EAAE,MAAM,kCAAkC,CAAC;AAC9E,OAAO,EAAE,KAAK,EAAE,MAAM,uBAAuB,CAAC;AAC9C,OAAO,EAAE,2BAA2B,EAAE,WAAW,EAAE,MAAM,+CAA+C,CAAC;AAEzG,OAAO,CAAC,gBAAgB,CAAC,CAAC,IAAI,EAAE,CAAC;AACjC,IAAM,cAAc,GAAG,IAAI,CAAC,SAAS,CAAC,EAAE,CAAC,SAAS,CAAC,CAAC;AAEpD,SAAe,SAAS,CAAC,GAAW;;;;;wBACpB,qBAAM,WAAW,CAAC,GAAG,EAAE,IAAI,CAAC,EAAA;;oBAAlC,GAAG,GAAG,SAA4B;oBAClC,IAAI,GAAG,GAAG,CAAC,MAAM,CAAC,aAAa,CAAC,GAAG,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,CAAC;oBAC9C,qBAAM,2BAA2B,CAAC,IAAI,CAAC,CAAC,GAAG,EAAE,EAAA;wBAApD,sBAAO,SAA6C,EAAC;;;;CACxD;AAED,SAAS,KAAK,CAAC,MAAc;IACzB,IAAI,CAAC,WAAW,CAAC,EAAE,CAAC,MAAM,CAAC,UAAU,CAAC;QAAE,OAAO;IACvC,IAAA,mBAAmB,GAAK,MAAM,CAAC,UAAU,CAAC,IAAI,oBAA3B,CAA4B;IACvD,IAAM,GAAG,GAAG,KAAK,CAAC,MAAM,CAAC,mBAAmB,EAAE,CAAC,CAAC,CAAC;IACjD,OAAO,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC;IACjB,OAAO,CAAC,GAAG,CAAC,MAAM,CAAC,IAAI,CAAC,SAAS,CAAC,CAAC;IACnC,OAAO,CAAC,GAAG,CAAC,MAAM,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;AACnC,CAAC;AAED,SAAe,MAAM,CAAC,MAAc,EAAE,QAAgB;;;;;wBACrC,qBAAM,IAAI,CAAC,MAAM,CAAC,EAAE,EAAE,UAAA,OAAO,IAAI,OAAA,0BAA0B,CAAC,EAAE,OAAO,SAAA,EAAE,EAAE,MAAM,EAAE,KAAK,CAAC,WAAW,EAAE,EAAE,EAAE,QAAQ,EAAE,MAAM,CAAC,QAAQ,CAAC,QAAQ,CAAC,GAAG,CAAC,EAAE,CAAC,EAAjH,CAAiH,CAAC,CAAC,GAAG,EAAE,EAAA;;oBAAhK,IAAI,GAAG,SAAyJ;oBACtK,OAAO,CAAC,GAAG,CAAC,EAAE,EAAE,EAAE,IAAI,CAAC,WAAW,EAAE,EAAE,EAAE,IAAI,CAAC,aAAa,EAAE,CAAC,CAAC;oBAGtD,WAAW,GAAoB,IAAI,YAAxB,EAAE,aAAa,GAAK,IAAI,cAAT,CAAU;oBAEtC,EAAE,GAAG,IAAI,CAAC,YAAY,CAAC,GAAG,CAAC,KAAK,CAAC;oBACjC,EAAE,GAAG,IAAI,CAAC,WAAW,CAAC,GAAG,CAAC,KAAK,CAAC;oBAEhC,GAAG,GAAG,aAAa,CAAC,MAAM,EAAE,CAAC;oBACnC,KAAS,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,WAAW,EAAE,CAAC,EAAE,EAAE;wBAClC,aAAa,CAAC,KAAK,CAAC,GAAG,EAAE,IAAI,CAAC,CAAC;wBAC/B,aAAa,CAAC,UAAU,CAAC,GAAG,EAAE,EAAE,CAAC,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,EAAE,GAAG,CAAC,CAAC;wBAClD,aAAa,CAAC,WAAW,CAAC,GAAG,CAAC,CAAC;wBAC/B,aAAa,CAAC,UAAU,CAAC,GAAG,EAAE,EAAE,CAAC,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,EAAE,GAAG,CAAC,CAAC;wBAClD,aAAa,CAAC,WAAW,CAAC,GAAG,CAAC,CAAC;wBAC/B,aAAa,CAAC,UAAU,CAAC,GAAG,EAAE,EAAE,CAAC,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,EAAE,GAAG,CAAC,CAAC;wBAClD,aAAa,CAAC,OAAO,CAAC,GAAG,CAAC,CAAC;qBAC9B;oBACD,KAAS,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,aAAa,EAAE,CAAC,EAAE,EAAE;wBACpC,aAAa,CAAC,KAAK,CAAC,GAAG,EAAE,IAAI,CAAC,CAAC;wBAC/B,aAAa,CAAC,oBAAoB,CAAC,GAAG,EAAE,EAAE,CAAC,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC;wBAC3D,aAAa,CAAC,oBAAoB,CAAC,GAAG,EAAE,EAAE,CAAC,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC;wBAC3D,aAAa,CAAC,YAAY,CAAC,GAAG,EAAE,EAAE,CAAC,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC;wBACnD,aAAa,CAAC,OAAO,CAAC,GAAG,CAAC,CAAC;qBAC9B;oBAED,qBAAM,cAAc,CAAC,QAAQ,EAAE,aAAa,CAAC,SAAS,CAAC,GAAG,CAAC,CAAC,EAAA;;oBAA5D,SAA4D,CAAC;;;;;CAChE;AAED,SAAe,GAAG,CAAC,GAAW,EAAE,YAAoB;;;;;wBACjC,qBAAM,SAAS,CAAC,GAAG,CAAC,EAAA;;oBAA7B,MAAM,GAAG,SAAoB;oBACnC,KAAK,CAAC,MAAM,CAAC,CAAC;oBACd,qBAAM,MAAM,CAAC,MAAM,EAAE,YAAY,CAAC,EAAA;;oBAAlC,SAAkC,CAAC;;;;;CACtC;AAED,IAAM,MAAM,GAAG,IAAI,QAAQ,CAAC,cAAc,CAAC;IACvC,QAAQ,EAAE,IAAI;IACd,WAAW,EAAE,6CAA6C;CAC7D,CAAC,CAAC;AACH,MAAM,CAAC,YAAY,CAAC,QAAQ,EAAE,IAAI,EAAE;IAChC,IAAI,EAAE,2BAA2B;CACpC,CAAC,CAAC;AACH,MAAM,CAAC,YAAY,CAAC,QAAQ,EAAE;IAC1B,IAAI,EAAE,eAAe;IACrB,QAAQ,EAAE,IAAI;CACjB,CAAC,CAAC;AAKH,IAAM,IAAI,GAAS,MAAM,CAAC,UAAU,EAAE,CAAC;AAEvC,GAAG,CAAC,wCAAiC,IAAI,CAAC,IAAI,mBAAgB,EAAE,IAAI,CAAC,IAAI,CAAC,CAAC"}
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@@ -110,7 +110,7 @@ var Viewer = /** @class */ (function () {
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110
110
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? document.getElementById(elementOrId)
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111
111
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: elementOrId;
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112
112
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if (!element)
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113
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-
throw new Error("Could not get element with id '"
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113
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+
throw new Error("Could not get element with id '".concat(elementOrId, "'"));
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114
114
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this.plugin = (0, mol_plugin_ui_1.createPlugin)(element, spec);
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115
115
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this.plugin.customState = {
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116
116
|
colorPalette: {
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@@ -1 +1 @@
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1
|
-
{"version":3,"file":"index.js","sourceRoot":"","sources":["../../../../src/apps/docking-viewer/index.ts"],"names":[],"mappings":";AAAA;;;;;GAKG;;;;AAEH,uDAAsD;AAEtD,0DAAgG;AAChG,qDAAmD;AAGnD,iDAA6E;AAC7E,sDAA4D;AAC5D,sDAA2D;AAC3D,kDAAuD;AACvD,8CAAmD;AACnD,6CAA8C;AAC9C,2CAAsC;AACtC,8CAA6C;AAC7C,oDAAwD;AACxD,oEAAwE;AACxE,mCAAiC;AACjC,4DAAyD;AACzD,wBAAsB;AACtB,uCAA6E;AAE7E,OAAO,CAAC,+BAA+B,CAAC,CAAC;AAEzC,oDAAqE;AAA5D,kGAAA,cAAc,OAAW;AAClC,8CAAuE;AAA9D,qGAAA,YAAY,OAAA;AAAE,0GAAA,iBAAiB,OAAA;AAGxC,IAAM,oBAAoB,GAAG;IACzB,UAAU,EAAE,IAAA,yBAAU,EAAC,EAAE,CAAC;IAC1B,gBAAgB,EAAE,IAAI;IACtB,kBAAkB,EAAE,IAAI;IACxB,qBAAqB,EAAE,IAAI;IAC3B,qBAAqB,EAAE,UAAyC;IAChE,kBAAkB,EAAE,IAAI;IACxB,aAAa,EAAE,IAAI;IACnB,mBAAmB,EAAE,IAAI;IAEzB,kBAAkB,EAAE,qBAAY,CAAC,QAAQ,CAAC,UAAU,CAAC,YAAY;IACjE,oBAAoB,EAAE,qBAAY,CAAC,QAAQ,CAAC,YAAY,CAAC,YAAY;IACrE,oBAAoB,EAAE,qBAAY,CAAC,QAAQ,CAAC,YAAY,CAAC,YAAY;IACrE,yBAAyB,EAAE,qBAAY,CAAC,QAAQ,CAAC,iBAAiB,CAAC,YAAY;IAC/E,qBAAqB,EAAE,qBAAY,CAAC,QAAQ,CAAC,aAAa,CAAC,YAAY;IACvE,iBAAiB,EAAE,qBAAY,CAAC,KAAK,CAAC,aAAa,CAAC,YAAY;IAChE,qBAAqB,EAAE,qBAAY,CAAC,eAAe,CAAC,aAAa,CAAC,YAAY;IAC9E,WAAW,EAAE,qBAAY,CAAC,QAAQ,CAAC,kBAAkB,CAAC,YAAY;IAClE,YAAY,EAAE,qBAAY,CAAC,QAAQ,CAAC,mBAAmB,CAAC,YAAY;CACvE,CAAC;AAEF;IAGI,gBAAY,WAAiC,EAAE,MAA2C,EAAE,WAAkB;QAA9G,iBA4FC;QA5F8C,uBAAA,EAAA,UAAU,IAAA,aAAK,EAAC,QAAQ,CAAC,EAAE,IAAA,aAAK,EAAC,QAAQ,CAAC,CAAC;QAAE,4BAAA,EAAA,kBAAkB;;QAC1G,IAAM,CAAC,mDAAQ,oBAAoB,GAAK;YACpC,gBAAgB,EAAE,KAAK;YACvB,kBAAkB,EAAE,KAAK;YACzB,qBAAqB,EAAE,KAAK;YAC5B,kBAAkB,EAAE,IAAI;YACxB,aAAa,EAAE,KAAK;YACpB,mBAAmB,EAAE,IAAI;YAEzB,kBAAkB,EAAE,IAAI;YACxB,oBAAoB,EAAE,KAAK;YAC3B,oBAAoB,EAAE,KAAK;YAC3B,yBAAyB,EAAE,KAAK;YAChC,qBAAqB,EAAE,KAAK;SAC/B,CAAE,CAAC;QACJ,IAAM,WAAW,GAAG,IAAA,0BAAmB,GAAE,CAAC;QAE1C,IAAM,IAAI,GAAiB;YACvB,OAAO,EAAE,WAAW,CAAC,OAAO;YAC5B,SAAS,EAAE;gBACP,iBAAU,CAAC,QAAQ,CAAC,0BAAe,CAAC,cAAc,CAAC,aAAa,EAAE,EAAE,IAAI,EAAE,KAAK,EAAE,CAAC;gBAClF,iBAAU,CAAC,QAAQ,CAAC,0BAAe,CAAC,cAAc,CAAC,wBAAwB,CAAC;gBAC5E,iBAAU,CAAC,QAAQ,CAAC,0BAAe,CAAC,MAAM,CAAC,SAAS,CAAC;gBAErD,iBAAU,CAAC,QAAQ,CAAC,0BAAe,CAAC,WAAW,CAAC,aAAa,CAAC;gBAC9D,iBAAU,CAAC,QAAQ,CAAC,0BAAe,CAAC,WAAW,CAAC,YAAY,CAAC;gBAC7D,iBAAU,CAAC,QAAQ,CAAC,0BAAe,CAAC,WAAW,CAAC,kBAAkB,CAAC;aACtE;YACD,UAAU,EAAE,WAAW,CAAC,UAAU;YAClC,kBAAkB,EAAE,WAAW,CAAC,kBAAkB;YAClD,MAAM,EAAE;gBACJ,OAAO,EAAE;oBACL,UAAU,EAAE,CAAC,CAAC,gBAAgB;oBAC9B,YAAY,EAAE,CAAC,CAAC,kBAAkB;oBAClC,eAAe,EAAE,CAAC,CAAC,qBAAqB;iBAC3C;aACJ;YACD,UAAU,kDACH,WAAW,CAAC,UAAU,KACzB,QAAQ,kDACD,MAAA,WAAW,CAAC,UAAU,0CAAE,QAAQ,KACnC,GAAG,EAAE,CAAC,CAAC,kBAAkB,CAAC,CAAC,CAAC,SAAS,CAAC,CAAC,CAAC,MAAM,EAC9C,MAAM,EAAE,CAAC,CAAC,aAAa,CAAC,CAAC,CAAC,SAAS,CAAC,CAAC,CAAC,MAAM,EAC5C,IAAI,EAAE,CAAC,CAAC,mBAAmB,CAAC,CAAC,CAAC,SAAS,CAAC,CAAC,CAAC,MAAM,KAEpD,WAAW,EAAE,CAAC,CAAC,qBAAqB,CAAC,CAAC,CAAC,SAAS,CAAC,CAAC,CAAC,MAAM,EACzD,QAAQ,EAAE;oBACN,IAAI,EAAE,4BAAiB;iBAC1B,GACJ;YACD,MAAM,EAAE;gBACJ,CAAC,qBAAY,CAAC,QAAQ,CAAC,UAAU,EAAE,CAAC,CAAC,kBAAkB,CAAC;gBACxD,CAAC,qBAAY,CAAC,QAAQ,CAAC,YAAY,EAAE,CAAC,CAAC,oBAAoB,CAAC;gBAC5D,CAAC,qBAAY,CAAC,QAAQ,CAAC,YAAY,EAAE,CAAC,CAAC,oBAAoB,CAAC;gBAC5D,CAAC,qBAAY,CAAC,QAAQ,CAAC,iBAAiB,EAAE,CAAC,CAAC,yBAAyB,CAAC;gBACtE,CAAC,qBAAY,CAAC,QAAQ,CAAC,aAAa,EAAE,CAAC,CAAC,qBAAqB,CAAC;gBAC9D,CAAC,qBAAY,CAAC,KAAK,CAAC,aAAa,EAAE,CAAC,CAAC,iBAAiB,CAAC;gBACvD,CAAC,qBAAY,CAAC,KAAK,CAAC,aAAa,EAAE,CAAC,CAAC,iBAAiB,CAAC;gBACvD,CAAC,qBAAY,CAAC,eAAe,CAAC,aAAa,EAAE,CAAC,CAAC,qBAAqB,CAAC;gBACrE,CAAC,qBAAY,CAAC,QAAQ,CAAC,kBAAkB,EAAE,CAAC,CAAC,WAAW,CAAC;gBACzD,CAAC,qBAAY,CAAC,QAAQ,CAAC,mBAAmB,EAAE,CAAC,CAAC,YAAY,CAAC;gBAC3D,CAAC,sBAAW,EAAE,WAAW,CAAC;aAC7B;SACJ,CAAC;QAEF,IAAM,OAAO,GAAG,OAAO,WAAW,KAAK,QAAQ;YAC3C,CAAC,CAAC,QAAQ,CAAC,cAAc,CAAC,WAAW,CAAC;YACtC,CAAC,CAAC,WAAW,CAAC;QAClB,IAAI,CAAC,OAAO;YAAE,MAAM,IAAI,KAAK,CAAC,
|
|
1
|
+
{"version":3,"file":"index.js","sourceRoot":"","sources":["../../../../src/apps/docking-viewer/index.ts"],"names":[],"mappings":";AAAA;;;;;GAKG;;;;AAEH,uDAAsD;AAEtD,0DAAgG;AAChG,qDAAmD;AAGnD,iDAA6E;AAC7E,sDAA4D;AAC5D,sDAA2D;AAC3D,kDAAuD;AACvD,8CAAmD;AACnD,6CAA8C;AAC9C,2CAAsC;AACtC,8CAA6C;AAC7C,oDAAwD;AACxD,oEAAwE;AACxE,mCAAiC;AACjC,4DAAyD;AACzD,wBAAsB;AACtB,uCAA6E;AAE7E,OAAO,CAAC,+BAA+B,CAAC,CAAC;AAEzC,oDAAqE;AAA5D,kGAAA,cAAc,OAAW;AAClC,8CAAuE;AAA9D,qGAAA,YAAY,OAAA;AAAE,0GAAA,iBAAiB,OAAA;AAGxC,IAAM,oBAAoB,GAAG;IACzB,UAAU,EAAE,IAAA,yBAAU,EAAC,EAAE,CAAC;IAC1B,gBAAgB,EAAE,IAAI;IACtB,kBAAkB,EAAE,IAAI;IACxB,qBAAqB,EAAE,IAAI;IAC3B,qBAAqB,EAAE,UAAyC;IAChE,kBAAkB,EAAE,IAAI;IACxB,aAAa,EAAE,IAAI;IACnB,mBAAmB,EAAE,IAAI;IAEzB,kBAAkB,EAAE,qBAAY,CAAC,QAAQ,CAAC,UAAU,CAAC,YAAY;IACjE,oBAAoB,EAAE,qBAAY,CAAC,QAAQ,CAAC,YAAY,CAAC,YAAY;IACrE,oBAAoB,EAAE,qBAAY,CAAC,QAAQ,CAAC,YAAY,CAAC,YAAY;IACrE,yBAAyB,EAAE,qBAAY,CAAC,QAAQ,CAAC,iBAAiB,CAAC,YAAY;IAC/E,qBAAqB,EAAE,qBAAY,CAAC,QAAQ,CAAC,aAAa,CAAC,YAAY;IACvE,iBAAiB,EAAE,qBAAY,CAAC,KAAK,CAAC,aAAa,CAAC,YAAY;IAChE,qBAAqB,EAAE,qBAAY,CAAC,eAAe,CAAC,aAAa,CAAC,YAAY;IAC9E,WAAW,EAAE,qBAAY,CAAC,QAAQ,CAAC,kBAAkB,CAAC,YAAY;IAClE,YAAY,EAAE,qBAAY,CAAC,QAAQ,CAAC,mBAAmB,CAAC,YAAY;CACvE,CAAC;AAEF;IAGI,gBAAY,WAAiC,EAAE,MAA2C,EAAE,WAAkB;QAA9G,iBA4FC;QA5F8C,uBAAA,EAAA,UAAU,IAAA,aAAK,EAAC,QAAQ,CAAC,EAAE,IAAA,aAAK,EAAC,QAAQ,CAAC,CAAC;QAAE,4BAAA,EAAA,kBAAkB;;QAC1G,IAAM,CAAC,mDAAQ,oBAAoB,GAAK;YACpC,gBAAgB,EAAE,KAAK;YACvB,kBAAkB,EAAE,KAAK;YACzB,qBAAqB,EAAE,KAAK;YAC5B,kBAAkB,EAAE,IAAI;YACxB,aAAa,EAAE,KAAK;YACpB,mBAAmB,EAAE,IAAI;YAEzB,kBAAkB,EAAE,IAAI;YACxB,oBAAoB,EAAE,KAAK;YAC3B,oBAAoB,EAAE,KAAK;YAC3B,yBAAyB,EAAE,KAAK;YAChC,qBAAqB,EAAE,KAAK;SAC/B,CAAE,CAAC;QACJ,IAAM,WAAW,GAAG,IAAA,0BAAmB,GAAE,CAAC;QAE1C,IAAM,IAAI,GAAiB;YACvB,OAAO,EAAE,WAAW,CAAC,OAAO;YAC5B,SAAS,EAAE;gBACP,iBAAU,CAAC,QAAQ,CAAC,0BAAe,CAAC,cAAc,CAAC,aAAa,EAAE,EAAE,IAAI,EAAE,KAAK,EAAE,CAAC;gBAClF,iBAAU,CAAC,QAAQ,CAAC,0BAAe,CAAC,cAAc,CAAC,wBAAwB,CAAC;gBAC5E,iBAAU,CAAC,QAAQ,CAAC,0BAAe,CAAC,MAAM,CAAC,SAAS,CAAC;gBAErD,iBAAU,CAAC,QAAQ,CAAC,0BAAe,CAAC,WAAW,CAAC,aAAa,CAAC;gBAC9D,iBAAU,CAAC,QAAQ,CAAC,0BAAe,CAAC,WAAW,CAAC,YAAY,CAAC;gBAC7D,iBAAU,CAAC,QAAQ,CAAC,0BAAe,CAAC,WAAW,CAAC,kBAAkB,CAAC;aACtE;YACD,UAAU,EAAE,WAAW,CAAC,UAAU;YAClC,kBAAkB,EAAE,WAAW,CAAC,kBAAkB;YAClD,MAAM,EAAE;gBACJ,OAAO,EAAE;oBACL,UAAU,EAAE,CAAC,CAAC,gBAAgB;oBAC9B,YAAY,EAAE,CAAC,CAAC,kBAAkB;oBAClC,eAAe,EAAE,CAAC,CAAC,qBAAqB;iBAC3C;aACJ;YACD,UAAU,kDACH,WAAW,CAAC,UAAU,KACzB,QAAQ,kDACD,MAAA,WAAW,CAAC,UAAU,0CAAE,QAAQ,KACnC,GAAG,EAAE,CAAC,CAAC,kBAAkB,CAAC,CAAC,CAAC,SAAS,CAAC,CAAC,CAAC,MAAM,EAC9C,MAAM,EAAE,CAAC,CAAC,aAAa,CAAC,CAAC,CAAC,SAAS,CAAC,CAAC,CAAC,MAAM,EAC5C,IAAI,EAAE,CAAC,CAAC,mBAAmB,CAAC,CAAC,CAAC,SAAS,CAAC,CAAC,CAAC,MAAM,KAEpD,WAAW,EAAE,CAAC,CAAC,qBAAqB,CAAC,CAAC,CAAC,SAAS,CAAC,CAAC,CAAC,MAAM,EACzD,QAAQ,EAAE;oBACN,IAAI,EAAE,4BAAiB;iBAC1B,GACJ;YACD,MAAM,EAAE;gBACJ,CAAC,qBAAY,CAAC,QAAQ,CAAC,UAAU,EAAE,CAAC,CAAC,kBAAkB,CAAC;gBACxD,CAAC,qBAAY,CAAC,QAAQ,CAAC,YAAY,EAAE,CAAC,CAAC,oBAAoB,CAAC;gBAC5D,CAAC,qBAAY,CAAC,QAAQ,CAAC,YAAY,EAAE,CAAC,CAAC,oBAAoB,CAAC;gBAC5D,CAAC,qBAAY,CAAC,QAAQ,CAAC,iBAAiB,EAAE,CAAC,CAAC,yBAAyB,CAAC;gBACtE,CAAC,qBAAY,CAAC,QAAQ,CAAC,aAAa,EAAE,CAAC,CAAC,qBAAqB,CAAC;gBAC9D,CAAC,qBAAY,CAAC,KAAK,CAAC,aAAa,EAAE,CAAC,CAAC,iBAAiB,CAAC;gBACvD,CAAC,qBAAY,CAAC,KAAK,CAAC,aAAa,EAAE,CAAC,CAAC,iBAAiB,CAAC;gBACvD,CAAC,qBAAY,CAAC,eAAe,CAAC,aAAa,EAAE,CAAC,CAAC,qBAAqB,CAAC;gBACrE,CAAC,qBAAY,CAAC,QAAQ,CAAC,kBAAkB,EAAE,CAAC,CAAC,WAAW,CAAC;gBACzD,CAAC,qBAAY,CAAC,QAAQ,CAAC,mBAAmB,EAAE,CAAC,CAAC,YAAY,CAAC;gBAC3D,CAAC,sBAAW,EAAE,WAAW,CAAC;aAC7B;SACJ,CAAC;QAEF,IAAM,OAAO,GAAG,OAAO,WAAW,KAAK,QAAQ;YAC3C,CAAC,CAAC,QAAQ,CAAC,cAAc,CAAC,WAAW,CAAC;YACtC,CAAC,CAAC,WAAW,CAAC;QAClB,IAAI,CAAC,OAAO;YAAE,MAAM,IAAI,KAAK,CAAC,yCAAkC,WAAW,MAAG,CAAC,CAAC;QAChF,IAAI,CAAC,MAAM,GAAG,IAAA,4BAAY,EAAC,OAAO,EAAE,IAAI,CAAC,CAAC;QAEzC,IAAI,CAAC,MAAM,CAAC,WAAmB,GAAG;YAC/B,YAAY,EAAE;gBACV,IAAI,EAAE,QAAQ;gBACd,MAAM,EAAE,EAAE,IAAI,EAAE,EAAE,MAAM,QAAA,EAAE,EAAE;aAC/B;SACJ,CAAC;QAEF,IAAI,CAAC,MAAM,CAAC,SAAS,CAAC,QAAQ,CAAC,WAAW,CAAC,SAAS,CAAC,UAAA,CAAC;YAClD,IAAI,CAAC,EAAE;gBACH,yBAAc,CAAC,QAAQ,CAAC,WAAW,CAAC,KAAI,CAAC,MAAM,EAAE,EAAE,QAAQ,EAAE;wBACzD,QAAQ,kDACD,KAAI,CAAC,MAAM,CAAC,QAAS,CAAC,KAAK,CAAC,QAAQ,KACvC,eAAe,EAAE,kBAAU,CAAC,KAAK,GACpC;wBACD,MAAM,kDACC,KAAI,CAAC,MAAM,CAAC,QAAS,CAAC,KAAK,CAAC,MAAM,KACrC,MAAM,EAAE,EAAE,IAAI,EAAE,EAAE,IAAI,EAAE,KAAK,EAAE,MAAM,EAAE,EAAE,EAAE,EAAE,GAChD;qBACJ,EAAE,CAAC,CAAC;aACR;QACL,CAAC,CAAC,CAAC;IACP,CAAC;IAEK,+CAA8B,GAApC,UAAqC,OAA+E;;;;;;;wBAC1G,UAAU,GAAsB,EAAE,CAAC;8BACM,EAAP,mBAAO;;;6BAAP,CAAA,qBAAO,CAAA;wBAApC,kBAAyB,EAAvB,GAAG,SAAA,EAAE,MAAM,YAAA,EAAE,QAAQ,cAAA;wBACjB,qBAAM,IAAI,CAAC,MAAM,CAAC,QAAQ,CAAC,IAAI,CAAC,QAAQ,CAAC,EAAE,GAAG,KAAA,EAAE,QAAQ,UAAA,EAAE,CAAC,EAAA;;wBAAlE,SAAO,SAA2D;wBACrD,qBAAM,IAAI,CAAC,MAAM,CAAC,QAAQ,CAAC,SAAS,CAAC,eAAe,CAAC,MAAI,EAAE,MAAM,CAAC,EAAA;;wBAA/E,UAAU,GAAG,SAAkE;wBACvE,qBAAM,IAAI,CAAC,MAAM,CAAC,QAAQ,CAAC,SAAS,CAAC,WAAW,CAAC,UAAU,CAAC,EAAA;;wBAApE,KAAK,GAAG,SAA4D;wBAClD,qBAAM,IAAI,CAAC,MAAM,CAAC,QAAQ,CAAC,SAAS,CAAC,qBAAqB,CAAC,KAAK,CAAC,EAAA;;wBAAnF,eAA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@@ -9,7 +9,7 @@ import { StructureRef } from '../../mol-plugin-state/manager/structure/hierarchy
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import { PluginUIComponent } from '../../mol-plugin-ui/base';
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export declare const StructurePreset: StructureRepresentationPresetProvider<{
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ignoreHydrogens: boolean | undefined;
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quality: "
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quality: "auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest" | undefined;
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theme: import("../../mol-util/param-definition").ParamDefinition.Normalize<{
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globalName: any;
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carbonColor: any;
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@@ -31,7 +31,7 @@ export declare const StructurePreset: StructureRepresentationPresetProvider<{
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}>;
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export declare const IllustrativePreset: StructureRepresentationPresetProvider<{
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quality: "
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quality: "auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest" | undefined;
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theme: import("../../mol-util/param-definition").ParamDefinition.Normalize<{
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export { setDebugMode, setProductionMode } from '../../mol-util/debug';
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extensions: ("
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extensions: ("cellpack" | "g3d" | "geo-export" | "mp4-export" | "pdbe-structure-quality-report" | "dnatco-confal-pyramids" | "rcsb-assembly-symmetry" | "rcsb-validation-report" | "anvil-membrane-orientation")[];
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layoutIsExpanded: boolean;
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layoutShowControls: boolean;
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@@ -130,7 +130,7 @@ export declare class Viewer {
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unitcell: StateObjectSelector<PluginStateObject.Shape.Representation3D, import("../../mol-state/transformer").StateTransformer<import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, any>> | undefined;
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structure: StateObjectSelector<PluginStateObject.Molecule.Structure, import("../../mol-state/transformer").StateTransformer<import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, any>>;
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structureProperties: StateObjectSelector<PluginStateObject.Molecule.Structure, import("../../mol-state/transformer").StateTransformer<import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, any>>;
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representation: {
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representation: {} | {
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@@ -188,7 +188,7 @@ export declare class Viewer {
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representations: {
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all: StateObjectSelector<PluginStateObject.Molecule.Structure.Representation3D, import("../../mol-state/transformer").StateTransformer<import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, any>>;
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};
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} | {
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} | {
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representations?: undefined;
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} | {
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@@ -213,7 +213,7 @@ export declare class Viewer {
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unitcell: StateObjectSelector<PluginStateObject.Shape.Representation3D, import("../../mol-state/transformer").StateTransformer<import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, any>> | undefined;
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structure: StateObjectSelector<PluginStateObject.Molecule.Structure, import("../../mol-state/transformer").StateTransformer<import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, any>>;
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structureProperties: StateObjectSelector<PluginStateObject.Molecule.Structure, import("../../mol-state/transformer").StateTransformer<import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, any>>;
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representation: {
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representation: {} | {
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representations?: undefined;
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} | {
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@@ -271,7 +271,7 @@ export declare class Viewer {
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representations: {
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all: StateObjectSelector<PluginStateObject.Molecule.Structure.Representation3D, import("../../mol-state/transformer").StateTransformer<import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, any>>;
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};
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} | {
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} | {
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} | {
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@@ -290,7 +290,7 @@ export declare class Viewer {
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unitcell: StateObjectSelector<PluginStateObject.Shape.Representation3D, import("../../mol-state/transformer").StateTransformer<import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, any>> | undefined;
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structure: StateObjectSelector<PluginStateObject.Molecule.Structure, import("../../mol-state/transformer").StateTransformer<import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, any>>;
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structureProperties: StateObjectSelector<PluginStateObject.Molecule.Structure, import("../../mol-state/transformer").StateTransformer<import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, any>>;
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-
representation: {
|
|
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+
representation: {} | {
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components?: undefined;
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representations?: undefined;
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} | {
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@@ -348,7 +348,7 @@ export declare class Viewer {
|
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348
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representations: {
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|
all: StateObjectSelector<PluginStateObject.Molecule.Structure.Representation3D, import("../../mol-state/transformer").StateTransformer<import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, import("../../mol-state/object").StateObject<any, import("../../mol-state/object").StateObject.Type<any>>, any>>;
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350
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};
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|
-
} | {
|
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+
} | {
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components?: undefined;
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representations?: undefined;
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354
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|
} | {
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|
@@ -129,11 +129,11 @@ var Viewer = /** @class */ (function () {
|
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|
129
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|
? document.getElementById(elementOrId)
|
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: elementOrId;
|
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|
if (!element)
|
|
132
|
-
throw new Error("Could not get element with id '"
|
|
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|
+
throw new Error("Could not get element with id '".concat(elementOrId, "'"));
|
|
133
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|
this.plugin = (0, mol_plugin_ui_1.createPlugin)(element, spec);
|
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134
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|
}
|
|
135
135
|
Viewer.prototype.setRemoteSnapshot = function (id) {
|
|
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|
-
var url = this.plugin.config.get(config_1.PluginConfig.State.CurrentServer)
|
|
136
|
+
var url = "".concat(this.plugin.config.get(config_1.PluginConfig.State.CurrentServer), "/get/").concat(id);
|
|
137
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|
return commands_1.PluginCommands.State.Snapshots.Fetch(this.plugin, { url: url });
|
|
138
138
|
};
|
|
139
139
|
Viewer.prototype.loadSnapshotFromUrl = function (url, type) {
|
|
@@ -294,7 +294,7 @@ var Viewer = /** @class */ (function () {
|
|
|
294
294
|
return (0, tslib_1.__generator)(this, function (_b) {
|
|
295
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|
plugin = this.plugin;
|
|
296
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|
if (!plugin.dataFormats.get(format)) {
|
|
297
|
-
throw new Error("Unknown density format: "
|
|
297
|
+
throw new Error("Unknown density format: ".concat(format));
|
|
298
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|
}
|
|
299
299
|
if (options === null || options === void 0 ? void 0 : options.isLazy) {
|
|
300
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|
update = this.plugin.build();
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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1
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+
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@@ -27,7 +27,7 @@ function extractIonNames(ccd) {
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27
27
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return ionNames;
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}
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function writeIonNamesFile(filePath, ionNames) {
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30
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-
var output = "/**\n * Copyright (c) 2020 mol* contributors, licensed under MIT, See LICENSE file for more info.\n *\n * Code-generated ion names params file. Names extracted from CCD components.\n *\n * @author molstar/chem-comp-dict/create-table cli\n */\n\nexport const IonNames = new Set("
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30
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+
var output = "/**\n * Copyright (c) 2020 mol* contributors, licensed under MIT, See LICENSE file for more info.\n *\n * Code-generated ion names params file. Names extracted from CCD components.\n *\n * @author molstar/chem-comp-dict/create-table cli\n */\n\nexport const IonNames = new Set(".concat(JSON.stringify(ionNames).replace(/"/g, "'").replace(/,/g, ', '), ");\n");
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writeFile(filePath, output);
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}
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function run(out, forceDownload) {
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@@ -1 +1 @@
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1
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-
{"version":3,"file":"create-ions.js","sourceRoot":"","sources":["../../../../src/cli/chem-comp-dict/create-ions.ts"],"names":[],"mappings":";;AACA;;;;GAIG;;;AAEH,8DAAqC;AACrC,sDAA6B;AAC7B,2DAAwB;AACxB,uDAAoB;AACpB,OAAO,CAAC,gBAAgB,CAAC,CAAC,IAAI,EAAE,CAAC;AACjC,IAAM,SAAS,GAAG,cAAI,CAAC,SAAS,CAAC,YAAE,CAAC,SAAS,CAAC,CAAC;AAI/C,+BAAsD;AAEtD,SAAS,eAAe,CAAC,GAAmC;IACxD,IAAM,QAAQ,GAAa,EAAE,CAAC;IAC9B,KAAK,IAAM,CAAC,IAAI,GAAG,EAAE;QACT,IAAA,SAAS,GAAK,GAAG,CAAC,CAAC,CAAC,UAAX,CAAY;QAC7B,IAAI,SAAS,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,WAAW,EAAE,CAAC,QAAQ,CAAC,MAAM,CAAC,EAAE;YACxD,QAAQ,CAAC,IAAI,CAAC,SAAS,CAAC,EAAE,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC;SACxC;KACJ;IACD,yDAAyD;IACzD,QAAQ,CAAC,IAAI,CAAC,KAAK,EAAE,KAAK,CAAC,CAAC;IAC5B,OAAO,QAAQ,CAAC;AACpB,CAAC;AAED,SAAS,iBAAiB,CAAC,QAAgB,EAAE,QAAkB;IAC3D,IAAM,MAAM,GAAG,
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1
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+
{"version":3,"file":"create-ions.js","sourceRoot":"","sources":["../../../../src/cli/chem-comp-dict/create-ions.ts"],"names":[],"mappings":";;AACA;;;;GAIG;;;AAEH,8DAAqC;AACrC,sDAA6B;AAC7B,2DAAwB;AACxB,uDAAoB;AACpB,OAAO,CAAC,gBAAgB,CAAC,CAAC,IAAI,EAAE,CAAC;AACjC,IAAM,SAAS,GAAG,cAAI,CAAC,SAAS,CAAC,YAAE,CAAC,SAAS,CAAC,CAAC;AAI/C,+BAAsD;AAEtD,SAAS,eAAe,CAAC,GAAmC;IACxD,IAAM,QAAQ,GAAa,EAAE,CAAC;IAC9B,KAAK,IAAM,CAAC,IAAI,GAAG,EAAE;QACT,IAAA,SAAS,GAAK,GAAG,CAAC,CAAC,CAAC,UAAX,CAAY;QAC7B,IAAI,SAAS,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,WAAW,EAAE,CAAC,QAAQ,CAAC,MAAM,CAAC,EAAE;YACxD,QAAQ,CAAC,IAAI,CAAC,SAAS,CAAC,EAAE,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC;SACxC;KACJ;IACD,yDAAyD;IACzD,QAAQ,CAAC,IAAI,CAAC,KAAK,EAAE,KAAK,CAAC,CAAC;IAC5B,OAAO,QAAQ,CAAC;AACpB,CAAC;AAED,SAAS,iBAAiB,CAAC,QAAgB,EAAE,QAAkB;IAC3D,IAAM,MAAM,GAAG,+RAQe,IAAI,CAAC,SAAS,CAAC,QAAQ,CAAC,CAAC,OAAO,CAAC,IAAI,EAAE,GAAG,CAAC,CAAC,OAAO,CAAC,IAAI,EAAE,IAAI,CAAC,SAChG,CAAC;IACE,SAAS,CAAC,QAAQ,EAAE,MAAM,CAAC,CAAC;AAChC,CAAC;AAED,SAAe,GAAG,CAAC,GAAW,EAAE,aAAqB;IAArB,8BAAA,EAAA,qBAAqB;;;;;wBACjD,qBAAM,IAAA,0BAAmB,EAAC,aAAa,CAAC,EAAA;;oBAAxC,SAAwC,CAAC;oBAC7B,qBAAM,IAAA,cAAO,GAAE,EAAA;;oBAArB,GAAG,GAAG,SAAe;oBACrB,QAAQ,GAAG,eAAe,CAAC,GAAG,CAAC,CAAC;oBACtC,IAAI,CAAC,YAAE,CAAC,UAAU,CAAC,IAAI,CAAC,OAAO,CAAC,GAAG,CAAC,CAAC,EAAE;wBACnC,YAAE,CAAC,SAAS,CAAC,IAAI,CAAC,OAAO,CAAC,GAAG,CAAC,CAAC,CAAC;qBACnC;oBACD,iBAAiB,CAAC,GAAG,EAAE,QAAQ,CAAC,CAAC;;;;;CACpC;AAED,IAAM,MAAM,GAAG,IAAI,QAAQ,CAAC,cAAc,CAAC;IACvC,QAAQ,EAAE,IAAI;IACd,WAAW,EAAE,qCAAqC;CACrD,CAAC,CAAC;AACH,MAAM,CAAC,YAAY,CAAC,KAAK,EAAE;IACvB,IAAI,EAAE,6BAA6B;CACtC,CAAC,CAAC;AACH,MAAM,CAAC,YAAY,CAAC,iBAAiB,EAAE,IAAI,EAAE;IACzC,MAAM,EAAE,YAAY;IACpB,IAAI,EAAE,iCAAiC;CAC1C,CAAC,CAAC;AAKH,IAAM,IAAI,GAAS,MAAM,CAAC,UAAU,EAAE,CAAC;AAEvC,GAAG,CAAC,IAAI,CAAC,GAAG,EAAE,IAAI,CAAC,aAAa,CAAC,CAAC"}
|
|
@@ -20,10 +20,10 @@ var mmcif_extras_1 = require("../../mol-io/reader/cif/schema/mmcif-extras");
|
|
|
20
20
|
var ccd_extras_1 = require("../../mol-io/reader/cif/schema/ccd-extras");
|
|
21
21
|
var util_1 = require("./util");
|
|
22
22
|
function ccbKey(compId, atomId1, atomId2) {
|
|
23
|
-
return atomId1 < atomId2 ? compId
|
|
23
|
+
return atomId1 < atomId2 ? "".concat(compId, ":").concat(atomId1, "-").concat(atomId2) : "".concat(compId, ":").concat(atomId2, "-").concat(atomId1);
|
|
24
24
|
}
|
|
25
25
|
function ccaKey(compId, atomId) {
|
|
26
|
-
return compId
|
|
26
|
+
return "".concat(compId, ":").concat(atomId);
|
|
27
27
|
}
|
|
28
28
|
function addChemCompBondToSet(set, ccb) {
|
|
29
29
|
for (var i = 0, il = ccb._rowCount; i < il; ++i) {
|
|
@@ -68,7 +68,7 @@ function checkAddingBondsFromPVCD(pvcd) {
|
|
|
68
68
|
extraBonds.forEach(function (bk) {
|
|
69
69
|
var _a = bk.split('|'), a1 = _a[0], a2 = _a[1];
|
|
70
70
|
if (entryAtoms.has(a1) && entryAtoms.has(a2)) {
|
|
71
|
-
console.error("Adding all PVCD bonds would wrongly add bond "
|
|
71
|
+
console.error("Adding all PVCD bonds would wrongly add bond ".concat(bk, " for ").concat(k));
|
|
72
72
|
}
|
|
73
73
|
});
|
|
74
74
|
};
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"create-table.js","sourceRoot":"","sources":["../../../../src/cli/chem-comp-dict/create-table.ts"],"names":[],"mappings":";;AACA;;;;GAIG;;;AAEH,8DAAqC;AACrC,sDAA6B;AAC7B,sDAA6B;AAC7B,kDAAyB;AACzB,OAAO,CAAC,gBAAgB,CAAC,CAAC,IAAI,EAAE,CAAC;AACjC,IAAM,SAAS,GAAG,IAAI,CAAC,SAAS,CAAC,EAAE,CAAC,SAAS,CAAC,CAAC;AAE/C,wCAAwE;AAExE,0CAA8C;AAC9C,0CAAgD;AAChD,4EAAwF;AACxF,wEAAoF;AACpF,+BAA+E;AAK/E,SAAS,MAAM,CAAC,MAAc,EAAE,OAAe,EAAE,OAAe;IAC5D,OAAO,OAAO,GAAG,OAAO,CAAC,CAAC,
|
|
1
|
+
{"version":3,"file":"create-table.js","sourceRoot":"","sources":["../../../../src/cli/chem-comp-dict/create-table.ts"],"names":[],"mappings":";;AACA;;;;GAIG;;;AAEH,8DAAqC;AACrC,sDAA6B;AAC7B,sDAA6B;AAC7B,kDAAyB;AACzB,OAAO,CAAC,gBAAgB,CAAC,CAAC,IAAI,EAAE,CAAC;AACjC,IAAM,SAAS,GAAG,IAAI,CAAC,SAAS,CAAC,EAAE,CAAC,SAAS,CAAC,CAAC;AAE/C,wCAAwE;AAExE,0CAA8C;AAC9C,0CAAgD;AAChD,4EAAwF;AACxF,wEAAoF;AACpF,+BAA+E;AAK/E,SAAS,MAAM,CAAC,MAAc,EAAE,OAAe,EAAE,OAAe;IAC5D,OAAO,OAAO,GAAG,OAAO,CAAC,CAAC,CAAC,UAAG,MAAM,cAAI,OAAO,cAAI,OAAO,CAAE,CAAC,CAAC,CAAC,UAAG,MAAM,cAAI,OAAO,cAAI,OAAO,CAAE,CAAC;AACrG,CAAC;AAED,SAAS,MAAM,CAAC,MAAc,EAAE,MAAc;IAC1C,OAAO,UAAG,MAAM,cAAI,MAAM,CAAE,CAAC;AACjC,CAAC;AAED,SAAS,oBAAoB,CAAC,GAAgB,EAAE,GAAQ;IACpD,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,GAAG,CAAC,SAAS,EAAE,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,EAAE;QAC7C,GAAG,CAAC,GAAG,CAAC,MAAM,CAAC,GAAG,CAAC,OAAO,CAAC,KAAK,CAAC,CAAC,CAAC,EAAE,GAAG,CAAC,SAAS,CAAC,KAAK,CAAC,CAAC,CAAC,EAAE,GAAG,CAAC,SAAS,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;KACzF;IACD,OAAO,GAAG,CAAC;AACf,CAAC;AAED,SAAS,oBAAoB,CAAC,GAAgB,EAAE,GAAQ;IACpD,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,GAAG,CAAC,SAAS,EAAE,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,EAAE;QAC7C,GAAG,CAAC,GAAG,CAAC,MAAM,CAAC,GAAG,CAAC,OAAO,CAAC,KAAK,CAAC,CAAC,CAAC,EAAE,GAAG,CAAC,OAAO,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;KAC/D;IACD,OAAO,GAAG,CAAC;AACf,CAAC;AAED,SAAS,wBAAwB,CAAC,IAAoC;IAClE,IAAM,cAAc,GAAG,IAAA,gBAAU,EAAsB,cAAM,OAAA,IAAI,GAAG,EAAE,EAAT,CAAS,CAAC,CAAC;IAExE,KAAK,IAAM,CAAC,IAAI,IAAI,EAAE;QACZ,IAAA,KAAgC,IAAI,CAAC,CAAC,CAAC,EAArC,SAAS,eAAA,EAAE,cAAc,oBAAY,CAAC;QAC9C,IAAI,cAAc,CAAC,SAAS,EAAE;YAC1B,IAAM,SAAS,GAAG,SAAS,CAAC,uBAAuB,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;YAC7D,IAAI,SAAS,CAAC,MAAM,KAAK,CAAC,EAAE;gBACxB,IAAM,GAAG,GAAG,cAAc,CAAC,UAAU,CAAC,SAAS,CAAC,EAAE,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC;gBAC7D,oBAAoB,CAAC,GAAG,EAAE,cAAc,CAAC,CAAC;aAC7C;iBAAM;gBACH,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,SAAS,CAAC,MAAM,EAAE,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,EAAE;oBAChD,IAAM,QAAQ,GAAG,SAAS,CAAC,CAAC,CAAC,CAAC;oBAC9B,IAAM,GAAG,GAAG,cAAc,CAAC,UAAU,CAAC,QAAQ,CAAC,CAAC;oBAChD,oBAAoB,CAAC,GAAG,EAAE,cAAc,CAAC,CAAC;iBAC7C;aACJ;SACJ;KACJ;4BAEU,CAAC;QACF,IAAA,KAAgD,IAAI,CAAC,CAAC,CAAC,EAArD,SAAS,eAAA,EAAE,cAAc,oBAAA,EAAE,cAAc,oBAAY,CAAC;QAC9D,IAAI,cAAc,CAAC,SAAS,EAAE;YAC1B,IAAM,SAAS,GAAG,SAAS,CAAC,uBAAuB,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;YAC7D,IAAI,SAAS,CAAC,MAAM,GAAG,CAAC,EAAE;wCACb,CAAC,EAAM,EAAE;oBACd,IAAM,UAAU,GAAG,oBAAoB,CAAC,IAAI,GAAG,EAAU,EAAE,cAAc,CAAC,CAAC;oBAC3E,IAAM,UAAU,GAAG,oBAAoB,CAAC,IAAI,GAAG,EAAU,EAAE,cAAc,CAAC,CAAC;oBAC3E,IAAM,UAAU,GAAG,cAAQ,CAAC,UAAU,CAAC,cAAc,CAAC,GAAG,CAAC,SAAS,CAAC,CAAC,CAAC,CAAE,EAAE,UAAU,CAAC,CAAC;oBACtF,UAAU,CAAC,OAAO,CAAC,UAAA,EAAE;wBACX,IAAA,KAAW,EAAE,CAAC,KAAK,CAAC,GAAG,CAAC,EAAvB,EAAE,QAAA,EAAE,EAAE,QAAiB,CAAC;wBAC/B,IAAI,UAAU,CAAC,GAAG,CAAC,EAAE,CAAC,IAAI,UAAU,CAAC,GAAG,CAAC,EAAE,CAAC,EAAE;4BAC1C,OAAO,CAAC,KAAK,CAAC,uDAAgD,EAAE,kBAAQ,CAAC,CAAE,CAAC,CAAC;yBAChF;oBACL,CAAC,CAAC,CAAC;;gBATP,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,SAAS,CAAC,MAAM,EAAE,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC;4BAAzC,CAAC,EAAM,EAAE;iBAUjB;aACJ;SACJ;;IAjBL,KAAK,IAAM,CAAC,IAAI,IAAI;gBAAT,CAAC;KAkBX;AACL,CAAC;AAED,SAAS,wBAAwB,CAAC,IAAoC;IAClE,IAAM,cAAc,GAAG,IAAA,gBAAU,EAAsB,cAAM,OAAA,IAAI,GAAG,EAAE,EAAT,CAAS,CAAC,CAAC;IAExE,KAAK,IAAM,CAAC,IAAI,IAAI,EAAE;QACZ,IAAA,KAAgC,IAAI,CAAC,CAAC,CAAC,EAArC,SAAS,eAAA,EAAE,cAAc,oBAAY,CAAC;QAC9C,IAAI,cAAc,CAAC,SAAS,EAAE;YAC1B,IAAM,SAAS,GAAG,SAAS,CAAC,uBAAuB,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;YAC7D,IAAI,SAAS,CAAC,MAAM,KAAK,CAAC,EAAE;gBACxB,IAAM,GAAG,GAAG,cAAc,CAAC,UAAU,CAAC,SAAS,CAAC,EAAE,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC;gBAC7D,oBAAoB,CAAC,GAAG,EAAE,cAAc,CAAC,CAAC;aAC7C;iBAAM;gBACH,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,SAAS,CAAC,MAAM,EAAE,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,EAAE;oBAChD,IAAM,QAAQ,GAAG,SAAS,CAAC,CAAC,CAAC,CAAC;oBAC9B,IAAM,GAAG,GAAG,cAAc,CAAC,UAAU,CAAC,QAAQ,CAAC,CAAC;oBAChD,oBAAoB,CAAC,GAAG,EAAE,cAAc,CAAC,CAAC;iBAC7C;aACJ;SACJ;KACJ;AACL,CAAC;AAED,SAAe,WAAW,CACtB,GAAmC,EACnC,IAAoC,EACpC,cAAuB;;QAYvB,SAAS,QAAQ,CAAC,MAAc,EAAE,GAAQ,EAAE,kBAA2B;YACnE,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,GAAG,CAAC,SAAS,EAAE,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,EAAE;gBAC7C,IAAM,OAAO,GAAG,GAAG,CAAC,SAAS,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;gBACvC,IAAM,OAAO,GAAG,GAAG,CAAC,SAAS,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;gBACvC,IAAM,CAAC,GAAG,MAAM,CAAC,MAAM,EAAE,OAAO,EAAE,OAAO,CAAC,CAAC;gBAC3C,IAAI,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC,CAAC,EAAE;oBAChB,SAAS,CAAC,IAAI,CAAC,OAAO,CAAC,CAAC;oBACxB,SAAS,CAAC,IAAI,CAAC,OAAO,CAAC,CAAC;oBACxB,OAAO,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC;oBACrB,WAAW,CAAC,IAAI,CAAC,GAAG,CAAC,WAAW,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC;oBAC3C,kBAAkB,CAAC,IAAI,CAAC,GAAG,CAAC,kBAAkB,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC;oBACzD,kBAAkB,CAAC,IAAI,CAAC,GAAG,CAAC,kBAAkB,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC;oBACzD,2BAA2B,CAAC,IAAI,CAAC,kBAAkB,CAAC,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,GAAG,CAAC,CAAC;oBACjE,MAAM,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC;iBACjB;aACJ;QACL,CAAC;;;YA1BK,MAAM,GAAG,IAAI,GAAG,EAAU,CAAC;YAE3B,OAAO,GAAa,EAAE,CAAC;YACvB,SAAS,GAAa,EAAE,CAAC;YACzB,SAAS,GAAa,EAAE,CAAC;YACzB,WA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|
@@ -16,7 +16,7 @@ export declare function readCCD(): Promise<import("../../mol-data/db").DatabaseC
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|
|
16
16
|
name: import("../../mol-data/db/column").Column.Schema.Str;
|
|
17
17
|
one_letter_code: import("../../mol-data/db/column").Column.Schema.Str;
|
|
18
18
|
three_letter_code: import("../../mol-data/db/column").Column.Schema.Str;
|
|
19
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-
type: import("../../mol-data/db/column").Column.Schema.Aliased<"D-peptide linking" | "L-peptide linking" | "D-peptide NH3 amino terminus" | "L-peptide NH3 amino terminus" | "D-peptide COOH carboxy terminus" | "L-peptide COOH carboxy terminus" | "DNA linking" | "RNA linking" | "L-RNA linking" | "L-DNA linking" | "DNA OH 5 prime terminus" | "RNA OH 5 prime terminus" | "DNA OH 3 prime terminus" | "RNA OH 3 prime terminus" | "D-saccharide, beta linking" | "D-saccharide, alpha linking" | "L-saccharide, beta linking" | "L-saccharide, alpha linking" | "L-saccharide" | "D-saccharide" | "saccharide" | "non-polymer" | "peptide linking" | "peptide-like" | "L-gamma-peptide, C-delta linking" | "D-gamma-peptide, C-delta linking" | "L-beta-peptide, C-gamma linking" | "D-beta-peptide, C-gamma linking"
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type: import("../../mol-data/db/column").Column.Schema.Aliased<"other" | "D-peptide linking" | "L-peptide linking" | "D-peptide NH3 amino terminus" | "L-peptide NH3 amino terminus" | "D-peptide COOH carboxy terminus" | "L-peptide COOH carboxy terminus" | "DNA linking" | "RNA linking" | "L-RNA linking" | "L-DNA linking" | "DNA OH 5 prime terminus" | "RNA OH 5 prime terminus" | "DNA OH 3 prime terminus" | "RNA OH 3 prime terminus" | "D-saccharide, beta linking" | "D-saccharide, alpha linking" | "L-saccharide, beta linking" | "L-saccharide, alpha linking" | "L-saccharide" | "D-saccharide" | "saccharide" | "non-polymer" | "peptide linking" | "peptide-like" | "L-gamma-peptide, C-delta linking" | "D-gamma-peptide, C-delta linking" | "L-beta-peptide, C-gamma linking" | "D-beta-peptide, C-gamma linking">;
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pdbx_synonyms: import("../../mol-data/db/column").Column.Schema.List<string>;
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pdbx_type: import("../../mol-data/db/column").Column.Schema.Str;
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pdbx_ambiguous_flag: import("../../mol-data/db/column").Column.Schema.Str;
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comp_id: import("../../mol-data/db/column").Column.Schema.Str;
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value_order: import("../../mol-data/db/column").Column.Schema.Aliased<"sing" | "doub" | "trip" | "quad" | "arom" | "poly" | "delo" | "pi">;
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pdbx_ordinal: import("../../mol-data/db/column").Column.Schema.Int;
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pdbx_stereo_config: import("../../mol-data/db/column").Column.Schema.Aliased<"
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pdbx_stereo_config: import("../../mol-data/db/column").Column.Schema.Aliased<"N" | "E" | "Z">;
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pdbx_aromatic_flag: import("../../mol-data/db/column").Column.Schema.Aliased<"N" | "Y">;
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pdbx_chem_comp_descriptor: {
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name: import("../../mol-data/db/column").Column.Schema.Str;
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one_letter_code: import("../../mol-data/db/column").Column.Schema.Str;
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three_letter_code: import("../../mol-data/db/column").Column.Schema.Str;
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type: import("../../mol-data/db/column").Column.Schema.Aliased<"D-peptide linking" | "L-peptide linking" | "D-peptide NH3 amino terminus" | "L-peptide NH3 amino terminus" | "D-peptide COOH carboxy terminus" | "L-peptide COOH carboxy terminus" | "DNA linking" | "RNA linking" | "L-RNA linking" | "L-DNA linking" | "DNA OH 5 prime terminus" | "RNA OH 5 prime terminus" | "DNA OH 3 prime terminus" | "RNA OH 3 prime terminus" | "D-saccharide, beta linking" | "D-saccharide, alpha linking" | "L-saccharide, beta linking" | "L-saccharide, alpha linking" | "L-saccharide" | "D-saccharide" | "saccharide" | "non-polymer" | "peptide linking" | "peptide-like" | "L-gamma-peptide, C-delta linking" | "D-gamma-peptide, C-delta linking" | "L-beta-peptide, C-gamma linking" | "D-beta-peptide, C-gamma linking"
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+
type: import("../../mol-data/db/column").Column.Schema.Aliased<"other" | "D-peptide linking" | "L-peptide linking" | "D-peptide NH3 amino terminus" | "L-peptide NH3 amino terminus" | "D-peptide COOH carboxy terminus" | "L-peptide COOH carboxy terminus" | "DNA linking" | "RNA linking" | "L-RNA linking" | "L-DNA linking" | "DNA OH 5 prime terminus" | "RNA OH 5 prime terminus" | "DNA OH 3 prime terminus" | "RNA OH 3 prime terminus" | "D-saccharide, beta linking" | "D-saccharide, alpha linking" | "L-saccharide, beta linking" | "L-saccharide, alpha linking" | "L-saccharide" | "D-saccharide" | "saccharide" | "non-polymer" | "peptide linking" | "peptide-like" | "L-gamma-peptide, C-delta linking" | "D-gamma-peptide, C-delta linking" | "L-beta-peptide, C-gamma linking" | "D-beta-peptide, C-gamma linking">;
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pdbx_synonyms: import("../../mol-data/db/column").Column.Schema.List<string>;
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pdbx_type: import("../../mol-data/db/column").Column.Schema.Str;
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pdbx_ambiguous_flag: import("../../mol-data/db/column").Column.Schema.Str;
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@@ -125,7 +125,7 @@ export declare function readPVCD(): Promise<import("../../mol-data/db").Database
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value_order: import("../../mol-data/db/column").Column.Schema.Aliased<"sing" | "doub" | "trip" | "quad" | "arom" | "poly" | "delo" | "pi">;
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pdbx_ordinal: import("../../mol-data/db/column").Column.Schema.Int;
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pdbx_stereo_config: import("../../mol-data/db/column").Column.Schema.Aliased<"
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pdbx_stereo_config: import("../../mol-data/db/column").Column.Schema.Aliased<"N" | "E" | "Z">;
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};
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pdbx_chem_comp_descriptor: {
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@@ -27,7 +27,7 @@ function ensureAvailable(path, url, forceDownload) {
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|
switch (_g.label) {
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console.log("downloading "
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return [4 /*yield*/, (0, node_fetch_1.default)(url)];
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case 1:
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data = _g.sent();
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@@ -52,7 +52,7 @@ function ensureAvailable(path, url, forceDownload) {
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_g.sent();
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|
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console.log("done downloading "
|
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+
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|
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_g.label = 8;
|
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case 8: return [2 /*return*/];
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}
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@@ -1 +1 @@
|
|
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1
|
-
{"version":3,"file":"util.js","sourceRoot":"","sources":["../../../../src/cli/chem-comp-dict/util.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;;AAEH,sDAA6B;AAC7B,sDAA6B;AAC7B,kDAAyB;AACzB,sDAA6B;AAC7B,uEAA+B;AAC/B,OAAO,CAAC,gBAAgB,CAAC,CAAC,IAAI,EAAE,CAAC;AACjC,IAAM,QAAQ,GAAG,IAAI,CAAC,SAAS,CAAC,EAAE,CAAC,QAAQ,CAAC,CAAC;AAC7C,IAAM,SAAS,GAAG,IAAI,CAAC,SAAS,CAAC,EAAE,CAAC,SAAS,CAAC,CAAC;AAE/C,2CAA0C;AAE1C,+CAA8C;AAC9C,+CAAoD;AACpD,0DAAgE;AAEhE,SAAsB,eAAe,CAAC,IAAY,EAAE,GAAW,EAAE,aAAqB;IAArB,8BAAA,EAAA,qBAAqB;;;;;;yBAC9E,CAAA,aAAa,IAAI,CAAC,EAAE,CAAC,UAAU,CAAC,IAAI,CAAC,CAAA,EAArC,wBAAqC;oBACrC,OAAO,CAAC,GAAG,CAAC,
|
|
1
|
+
{"version":3,"file":"util.js","sourceRoot":"","sources":["../../../../src/cli/chem-comp-dict/util.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;;AAEH,sDAA6B;AAC7B,sDAA6B;AAC7B,kDAAyB;AACzB,sDAA6B;AAC7B,uEAA+B;AAC/B,OAAO,CAAC,gBAAgB,CAAC,CAAC,IAAI,EAAE,CAAC;AACjC,IAAM,QAAQ,GAAG,IAAI,CAAC,SAAS,CAAC,EAAE,CAAC,QAAQ,CAAC,CAAC;AAC7C,IAAM,SAAS,GAAG,IAAI,CAAC,SAAS,CAAC,EAAE,CAAC,SAAS,CAAC,CAAC;AAE/C,2CAA0C;AAE1C,+CAA8C;AAC9C,+CAAoD;AACpD,0DAAgE;AAEhE,SAAsB,eAAe,CAAC,IAAY,EAAE,GAAW,EAAE,aAAqB;IAArB,8BAAA,EAAA,qBAAqB;;;;;;yBAC9E,CAAA,aAAa,IAAI,CAAC,EAAE,CAAC,UAAU,CAAC,IAAI,CAAC,CAAA,EAArC,wBAAqC;oBACrC,OAAO,CAAC,GAAG,CAAC,sBAAe,GAAG,QAAK,CAAC,CAAC;oBACxB,qBAAM,IAAA,oBAAK,EAAC,GAAG,CAAC,EAAA;;oBAAvB,IAAI,GAAG,SAAgB;oBAC7B,IAAI,CAAC,EAAE,CAAC,UAAU,CAAC,QAAQ,CAAC,EAAE;wBAC1B,EAAE,CAAC,SAAS,CAAC,QAAQ,CAAC,CAAC;qBAC1B;yBACG,GAAG,CAAC,QAAQ,CAAC,KAAK,CAAC,EAAnB,wBAAmB;oBACb,KAAA,SAAS,CAAA;0BAAC,IAAI;oBAAE,KAAA,CAAA,KAAA,IAAI,CAAA,CAAC,UAAU,CAAA;oBAAC,qBAAM,IAAI,CAAC,MAAM,EAAE,EAAA;wBAAzD,qBAAM,4BAAgB,cAAgB,SAAmB,EAAC,GAAC,EAAA;;oBAA3D,SAA2D,CAAC;;;oBAEtD,KAAA,SAAS,CAAA;0BAAC,IAAI;oBAAE,qBAAM,IAAI,CAAC,IAAI,EAAE,EAAA;wBAAvC,qBAAM,4BAAgB,SAAiB,GAAC,EAAA;;oBAAxC,SAAwC,CAAC;;;oBAE7C,OAAO,CAAC,GAAG,CAAC,2BAAoB,GAAG,CAAE,CAAC,CAAC;;;;;;CAE9C;AAdD,0CAcC;AAED,SAAsB,mBAAmB,CAAC,aAAqB;IAArB,8BAAA,EAAA,qBAAqB;;;;wBAC3D,qBAAM,eAAe,CAAC,QAAQ,EAAE,OAAO,EAAE,aAAa,CAAC,EAAA;;oBAAvD,SAAuD,CAAC;oBACxD,qBAAM,eAAe,CAAC,SAAS,EAAE,QAAQ,EAAE,aAAa,CAAC,EAAA;;oBAAzD,SAAyD,CAAC;;;;;CAC7D;AAHD,kDAGC;AAED,SAAsB,oBAAoB,CAA4B,IAAY,EAAE,MAAS;;;;;;oBACpE,KAAA,QAAQ,CAAA;oBAAC,qBAAM,QAAQ,CAAC,IAAI,EAAE,MAAM,CAAC,EAAA;wBAA3C,qBAAM,kBAAS,SAA4B,EAAC,EAAA;;oBAArD,MAAM,GAAG,SAA4C;oBAC3D,sBAAO,SAAG,CAAC,oBAAoB,CAAC,MAAM,EAAE,MAAM,CAAC,MAAM,CAAC,EAAC;;;;CAC1D;AAHD,oDAGC;AAED,SAAsB,OAAO;;;YACzB,sBAAO,oBAAoB,CAAC,QAAQ,EAAE,gBAAU,CAAC,EAAC;;;CACrD;AAFD,0BAEC;AAED,SAAsB,QAAQ;;;YAC1B,sBAAO,oBAAoB,CAAC,SAAS,EAAE,gBAAU,CAAC,EAAC;;;CACtD;AAFD,4BAEC;AAED,SAAe,QAAQ,CAAC,IAAyB;;;;;;oBACvC,IAAI,GAAG,SAAG,CAAC,KAAK,CAAC,IAAI,CAAC,CAAC;oBAC7B,OAAO,CAAC,IAAI,CAAC,WAAW,CAAC,CAAC;oBACX,qBAAM,IAAI,CAAC,GAAG,CAAC,UAAA,CAAC,IAAI,OAAA,OAAO,CAAC,GAAG,CAAC,mBAAQ,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,EAA/B,CAA+B,EAAE,GAAG,CAAC,EAAA;;oBAAlE,MAAM,GAAG,SAAyD;oBACxE,OAAO,CAAC,OAAO,CAAC,WAAW,CAAC,CAAC;oBAC7B,IAAI,MAAM,CAAC,OAAO;wBAAE,MAAM,MAAM,CAAC;oBACjC,sBAAO,MAAM,EAAC;;;;CACjB;AAED,SAAgB,aAAa,CAAC,IAAY,EAAE,QAAmC,EAAE,MAAc;IAAd,uBAAA,EAAA,cAAc;IAC3F,IAAM,OAAO,GAAG,eAAS,CAAC,aAAa,CAAC,EAAE,MAAM,QAAA,EAAE,WAAW,EAAE,MAAM,EAAE,CAAC,CAAC;IACzE,eAAS,CAAC,OAAO,CAAC,aAAa,CAAC,OAAO,EAAE,IAAI,EAAE,QAAQ,CAAC,CAAC;IACzD,OAAO,OAAO,CAAC,OAAO,EAAE,CAAC;AAC7B,CAAC;AAJD,sCAIC;AAED,IAAM,QAAQ,GAAG,IAAI,CAAC,IAAI,CAAC,SAAS,EAAE,IAAI,EAAE,IAAI,EAAE,IAAI,EAAE,IAAI,EAAE,YAAY,CAAC,CAAC;AAC5E,IAAM,QAAQ,GAAG,IAAI,CAAC,IAAI,CAAC,QAAQ,EAAE,gBAAgB,CAAC,CAAC;AACvD,IAAM,SAAS,GAAG,IAAI,CAAC,IAAI,CAAC,QAAQ,EAAE,oBAAoB,CAAC,CAAC;AAC5D,IAAM,OAAO,GAAG,2DAA2D,CAAC;AAC5E,IAAM,QAAQ,GAAG,+DAA+D,CAAC"}
|
|
@@ -17,8 +17,8 @@ var mol_task_1 = require("../../mol-task");
|
|
|
17
17
|
var binary_cif_1 = require("../../mol-io/common/binary-cif");
|
|
18
18
|
var encoder_1 = require("../../mol-io/writer/cif/encoder");
|
|
19
19
|
function showProgress(p) {
|
|
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|
-
process.stdout.write("\r"
|
|
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|
-
process.stdout.write("\r"
|
|
20
|
+
process.stdout.write("\r".concat(new Array(80).join(' ')));
|
|
21
|
+
process.stdout.write("\r".concat(mol_task_1.Progress.format(p)));
|
|
22
22
|
}
|
|
23
23
|
var readFileAsync = util.promisify(fs.readFile);
|
|
24
24
|
var unzipAsync = util.promisify(zlib.unzip);
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"converter.js","sourceRoot":"","sources":["../../../../src/cli/cif2bcif/converter.ts"],"names":[],"mappings":";AAAA;;;;;GAKG;;;;AAEH,+CAA+F;AAC/F,+CAA0E;AAC1E,sDAA6B;AAC7B,kDAAyB;AACzB,sDAA6B;AAC7B,2CAAgE;AAChE,6DAAsF;AAEtF,2DAA2D;AAG3D,SAAS,YAAY,CAAC,CAAW;IAC7B,OAAO,CAAC,MAAM,CAAC,KAAK,CAAC,
|
|
1
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+
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