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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|
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1
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+
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AAG,KAAK,CAAC,GAAG,GAAG,CAAC,CAAC,GAAG,GAAG,CAAC;gBAC/B,MAAM,CAAC,CAAC,CAAC,GAAG,cAAc,CAAC,KAAK,CAAC,GAAG,CAAC,EAAE,KAAK,CAAC,GAAG,GAAG,CAAC,CAAC,EAAE,KAAK,CAAC,GAAG,GAAG,CAAC,CAAC,CAAC,CAAC;gBACvE,CAAC,EAAE,CAAC;aACP;SACJ;QACD,MAAM,EAAE,CAAC;KACZ;IAED,wCAAwC;IAExC,OAAO,EAAE,KAAK,OAAA,EAAE,OAAO,SAAA,EAAE,CAAC;AAC9B,CAAC"}
|
|
@@ -22,7 +22,7 @@ var SpacegroupCell;
|
|
|
22
22
|
function create(nameOrNumber, size, anglesInRadians) {
|
|
23
23
|
var index = getSpacegroupIndex(nameOrNumber);
|
|
24
24
|
if (index < 0) {
|
|
25
|
-
console.warn("Unknown spacegroup '"
|
|
25
|
+
console.warn("Unknown spacegroup '".concat(nameOrNumber, "', returning a 'P 1' with cellsize [1, 1, 1]"));
|
|
26
26
|
return SpacegroupCell.Zero;
|
|
27
27
|
}
|
|
28
28
|
var volume = size[0] * size[1] * size[2];
|
|
@@ -68,7 +68,7 @@ var Spacegroup;
|
|
|
68
68
|
Spacegroup.setOperatorMatrix = setOperatorMatrix;
|
|
69
69
|
function getSymmetryOperator(spacegroup, spgrOp, i, j, k) {
|
|
70
70
|
var operator = setOperatorMatrix(spacegroup, spgrOp, i, j, k, Mat4.zero());
|
|
71
|
-
return SymmetryOperator.create(spgrOp + 1
|
|
71
|
+
return SymmetryOperator.create("".concat(spgrOp + 1, "_").concat(5 + i).concat(5 + j).concat(5 + k), operator, { hkl: Vec3.create(i, j, k), spgrOp: spgrOp });
|
|
72
72
|
}
|
|
73
73
|
Spacegroup.getSymmetryOperator = getSymmetryOperator;
|
|
74
74
|
var _translationRef = Vec3();
|
|
@@ -97,7 +97,7 @@ var Spacegroup;
|
|
|
97
97
|
var _j = j - _translationRefOffset[1];
|
|
98
98
|
var _k = k - _translationRefOffset[2];
|
|
99
99
|
// const operator = setOperatorMatrixRef(spacegroup, spgrOp, i, j, k, ref, Mat4.zero());
|
|
100
|
-
return SymmetryOperator.create(spgrOp + 1
|
|
100
|
+
return SymmetryOperator.create("".concat(spgrOp + 1, "_").concat(5 + _i).concat(5 + _j).concat(5 + _k), operator, { hkl: Vec3.create(_i, _j, _k), spgrOp: spgrOp });
|
|
101
101
|
}
|
|
102
102
|
Spacegroup.getSymmetryOperatorRef = getSymmetryOperatorRef;
|
|
103
103
|
function getOperatorMatrix(ids) {
|
|
@@ -135,11 +135,11 @@ var Spacegroup;
|
|
|
135
135
|
var s0 = r[0].charAt(0);
|
|
136
136
|
var s1 = r[1].charAt(0);
|
|
137
137
|
if (s0 === '+')
|
|
138
|
-
return ""
|
|
138
|
+
return "".concat(r[0].substr(1)).concat(r[1]);
|
|
139
139
|
if (s1 === '+')
|
|
140
|
-
return ""
|
|
140
|
+
return "".concat(r[1].substr(1)).concat(r[0]);
|
|
141
141
|
}
|
|
142
|
-
throw new Error("unknown rotation '"
|
|
142
|
+
throw new Error("unknown rotation '".concat(r, "', ").concat(x, " ").concat(y, " ").concat(z));
|
|
143
143
|
}
|
|
144
144
|
function getShift(s) {
|
|
145
145
|
switch (s) {
|
|
@@ -157,8 +157,8 @@ var Spacegroup;
|
|
|
157
157
|
if (shift === '')
|
|
158
158
|
return rotation;
|
|
159
159
|
if (rotation.length > 2)
|
|
160
|
-
return rotation
|
|
161
|
-
return rotation.charAt(0) === '-' ? ""
|
|
160
|
+
return "".concat(rotation, "+").concat(shift);
|
|
161
|
+
return rotation.charAt(0) === '-' ? "".concat(shift).concat(rotation) : "".concat(shift, "+").concat(rotation);
|
|
162
162
|
}
|
|
163
163
|
})(Spacegroup || (Spacegroup = {}));
|
|
164
164
|
export { Spacegroup, SpacegroupCell };
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"construction.js","sourceRoot":"","sources":["../../../../src/mol-math/geometry/spacegroup/construction.ts"],"names":[],"mappings":"AAAA;;;;;GAKG;AAEH,OAAO,EAAE,IAAI,EAAE,IAAI,EAAE,MAAM,sBAAsB,CAAC;AAClD,OAAO,EAAE,cAAc,EAAE,aAAa,EAAE,SAAS,EAAE,kBAAkB,EAAE,YAAY,EAAE,gBAAgB,EAAE,MAAM,UAAU,CAAC;AACxH,OAAO,EAAE,gBAAgB,EAAE,MAAM,gBAAgB,CAAC;AAuBlD,IAAU,cAAc,CA4CvB;AA5CD,WAAU,cAAc;IACpB,6CAA6C;IAChC,mBAAI,GAAmB,MAAM,CAAC,KAAK,EAAE,IAAI,CAAC,MAAM,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,IAAI,CAAC,MAAM,CAAC,IAAI,CAAC,EAAE,GAAG,CAAC,EAAE,IAAI,CAAC,EAAE,GAAG,CAAC,EAAE,IAAI,CAAC,EAAE,GAAG,CAAC,CAAC,CAAC,CAAC;IAE5H,4CAA4C;IAC5C,SAAgB,MAAM,CAAC,IAAqB;QACxC,IAAI,CAAC,IAAI;YAAE,OAAO,IAAI,CAAC;QACvB,OAAO,IAAI,CAAC,KAAK,KAAK,CAAC,IAAI,IAAI,CAAC,IAAI,CAAC,CAAC,CAAC,KAAK,CAAC,IAAI,IAAI,CAAC,IAAI,CAAC,CAAC,CAAC,KAAK,CAAC,IAAI,IAAI,CAAC,IAAI,CAAC,CAAC,CAAC,KAAK,CAAC,CAAC;IAC9F,CAAC;IAHe,qBAAM,SAGrB,CAAA;IAED,yDAAyD;IACzD,SAAgB,MAAM,CAAC,YAA8C,EAAE,IAAU,EAAE,eAAqB;QACpG,IAAM,KAAK,GAAG,kBAAkB,CAAC,YAAY,CAAC,CAAC;QAC/C,IAAI,KAAK,GAAG,CAAC,EAAE;YACX,OAAO,CAAC,IAAI,CAAC,
|
|
1
|
+
{"version":3,"file":"construction.js","sourceRoot":"","sources":["../../../../src/mol-math/geometry/spacegroup/construction.ts"],"names":[],"mappings":"AAAA;;;;;GAKG;AAEH,OAAO,EAAE,IAAI,EAAE,IAAI,EAAE,MAAM,sBAAsB,CAAC;AAClD,OAAO,EAAE,cAAc,EAAE,aAAa,EAAE,SAAS,EAAE,kBAAkB,EAAE,YAAY,EAAE,gBAAgB,EAAE,MAAM,UAAU,CAAC;AACxH,OAAO,EAAE,gBAAgB,EAAE,MAAM,gBAAgB,CAAC;AAuBlD,IAAU,cAAc,CA4CvB;AA5CD,WAAU,cAAc;IACpB,6CAA6C;IAChC,mBAAI,GAAmB,MAAM,CAAC,KAAK,EAAE,IAAI,CAAC,MAAM,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,IAAI,CAAC,MAAM,CAAC,IAAI,CAAC,EAAE,GAAG,CAAC,EAAE,IAAI,CAAC,EAAE,GAAG,CAAC,EAAE,IAAI,CAAC,EAAE,GAAG,CAAC,CAAC,CAAC,CAAC;IAE5H,4CAA4C;IAC5C,SAAgB,MAAM,CAAC,IAAqB;QACxC,IAAI,CAAC,IAAI;YAAE,OAAO,IAAI,CAAC;QACvB,OAAO,IAAI,CAAC,KAAK,KAAK,CAAC,IAAI,IAAI,CAAC,IAAI,CAAC,CAAC,CAAC,KAAK,CAAC,IAAI,IAAI,CAAC,IAAI,CAAC,CAAC,CAAC,KAAK,CAAC,IAAI,IAAI,CAAC,IAAI,CAAC,CAAC,CAAC,KAAK,CAAC,CAAC;IAC9F,CAAC;IAHe,qBAAM,SAGrB,CAAA;IAED,yDAAyD;IACzD,SAAgB,MAAM,CAAC,YAA8C,EAAE,IAAU,EAAE,eAAqB;QACpG,IAAM,KAAK,GAAG,kBAAkB,CAAC,YAAY,CAAC,CAAC;QAC/C,IAAI,KAAK,GAAG,CAAC,EAAE;YACX,OAAO,CAAC,IAAI,CAAC,8BAAuB,YAAY,iDAA8C,CAAC,CAAC;YAChG,OAAO,eAAA,IAAI,CAAC;SACf;QAED,IAAM,MAAM,GAAG,IAAI,CAAC,CAAC,CAAC,GAAG,IAAI,CAAC,CAAC,CAAC,GAAG,IAAI,CAAC,CAAC,CAAC,CAAC;QAE3C,IAAM,KAAK,GAAG,eAAe,CAAC,CAAC,CAAC,CAAC;QACjC,IAAM,IAAI,GAAG,eAAe,CAAC,CAAC,CAAC,CAAC;QAChC,IAAM,KAAK,GAAG,eAAe,CAAC,CAAC,CAAC,CAAC;QAEjC,IAAM,MAAM,GAAG,IAAI,CAAC,CAAC,CAAC,EAAE,MAAM,GAAG,IAAI,CAAC,CAAC,CAAC,EAAE,MAAM,GAAG,IAAI,CAAC,CAAC,CAAC,CAAC;QAE3D,IAAM,EAAE,GAAG,IAAI,CAAC,GAAG,CAAC,IAAI,CAAC,CAAC;QAC1B,IAAM,EAAE,GAAG,CAAC,IAAI,CAAC,GAAG,CAAC,KAAK,CAAC,GAAG,IAAI,CAAC,GAAG,CAAC,IAAI,CAAC,GAAG,IAAI,CAAC,GAAG,CAAC,KAAK,CAAC,CAAC,GAAG,IAAI,CAAC,GAAG,CAAC,KAAK,CAAC,CAAC;QAClF,IAAM,EAAE,GAAG,IAAI,CAAC,IAAI,CAAC,GAAG,GAAG,EAAE,GAAG,EAAE,GAAG,EAAE,GAAG,EAAE,CAAC,CAAC;QAE9C,IAAM,CAAC,GAAG,CAAC,MAAM,EAAE,GAAG,EAAE,GAAG,CAAC,CAAC;QAC7B,IAAM,CAAC,GAAG,CAAC,IAAI,CAAC,GAAG,CAAC,KAAK,CAAC,GAAG,MAAM,EAAE,IAAI,CAAC,GAAG,CAAC,KAAK,CAAC,GAAG,MAAM,EAAE,GAAG,CAAC,CAAC;QACpE,IAAM,CAAC,GAAG,CAAC,EAAE,GAAG,MAAM,EAAE,EAAE,GAAG,MAAM,EAAE,EAAE,GAAG,MAAM,CAAC,CAAC;QAElD,IAAM,cAAc,GAAG,IAAI,CAAC,MAAM,CAAC;YAC/B,CAAC,CAAC,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC;YACrB,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC;YAClB,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC;YACf,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,GAAG,CAAC;SACjB,CAAC,CAAC;QACH,IAAM,YAAY,GAAG,IAAI,CAAC,MAAM,CAAC,IAAI,CAAC,IAAI,EAAE,EAAE,cAAc,CAAE,CAAC;QAE/D,OAAO,EAAE,KAAK,OAAA,EAAE,IAAI,MAAA,EAAE,MAAM,QAAA,EAAE,eAAe,iBAAA,EAAE,YAAY,cAAA,EAAE,cAAc,gBAAA,EAAE,CAAC;IAClF,CAAC;IAhCe,qBAAM,SAgCrB,CAAA;AACL,CAAC,EA5CS,cAAc,KAAd,cAAc,QA4CvB;AAED,IAAU,UAAU,CA8HnB;AA9HD,WAAU,UAAU;IAChB,6BAA6B;IAChB,iBAAM,GAAG,MAAM,CAAC,cAAc,CAAC,IAAI,CAAC,CAAC;IAElD,SAAgB,MAAM,CAAC,IAAoB;QACvC,IAAM,SAAS,GAAG,SAAS,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC,GAAG,CAAC,UAAA,CAAC,IAAI,OAAA,iBAAiB,CAAC,YAAY,CAAC,CAAC,CAAC,CAAC,EAAlC,CAAkC,CAAC,CAAC;QACrF,IAAM,IAAI,GAAG,cAAc,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;QACxC,IAAM,GAAG,GAAG,gBAAgB,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;QACzC,OAAO,EAAE,IAAI,MAAA,EAAE,GAAG,KAAA,EAAE,IAAI,MAAA,EAAE,SAAS,WAAA,EAAE,CAAC;IAC1C,CAAC;IALe,iBAAM,SAKrB,CAAA;IAED,IAAM,OAAO,GAAG,IAAI,EAAE,CAAC;IACvB,IAAM,QAAQ,GAAG,IAAI,EAAE,CAAC;IACxB,SAAgB,iBAAiB,CAAC,UAAsB,EAAE,KAAa,EAAE,CAAS,EAAE,CAAS,EAAE,CAAS,EAAE,MAAY;QAClH,IAAI,CAAC,GAAG,CAAC,OAAO,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,CAAC;QAE3B,IAAI,CAAC,eAAe,CAAC,QAAQ,EAAE,OAAO,CAAC,CAAC;QACxC,OAAO,IAAI,CAAC,GAAG,CACX,MAAM,EACN,IAAI,CAAC,GAAG,CACJ,MAAM,EACN,IAAI,CAAC,GAAG,CAAC,MAAM,EAAE,UAAU,CAAC,IAAI,CAAC,cAAc,EAAE,QAAQ,CAAC,EAC1D,UAAU,CAAC,SAAS,CAAC,KAAK,CAAC,CAC9B,EACD,UAAU,CAAC,IAAI,CAAC,YAAY,CAC/B,CAAC;IACN,CAAC;IAbe,4BAAiB,oBAahC,CAAA;IAED,SAAgB,mBAAmB,CAAC,UAAsB,EAAE,MAAc,EAAE,CAAS,EAAE,CAAS,EAAE,CAAS;QACvG,IAAM,QAAQ,GAAG,iBAAiB,CAAC,UAAU,EAAE,MAAM,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,IAAI,CAAC,IAAI,EAAE,CAAC,CAAC;QAC7E,OAAO,gBAAgB,CAAC,MAAM,CAAC,UAAG,MAAM,GAAG,CAAC,cAAI,CAAC,GAAG,CAAC,SAAG,CAAC,GAAG,CAAC,SAAG,CAAC,GAAG,CAAC,CAAE,EAAE,QAAQ,EAAE,EAAE,GAAG,EAAE,IAAI,CAAC,MAAM,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,MAAM,QAAA,EAAE,CAAC,CAAC;IAC9H,CAAC;IAHe,8BAAmB,sBAGlC,CAAA;IAED,IAAM,eAAe,GAAG,IAAI,EAAE,CAAC;IAC/B,IAAM,oBAAoB,GAAG,IAAI,EAAE,CAAC;IACpC,IAAM,qBAAqB,GAAG,IAAI,EAAE,CAAC;IACrC,IAAM,iBAAiB,GAAG,IAAI,EAAE,CAAC;IAEjC;;;OAGG;IACH,SAAgB,sBAAsB,CAAC,UAAsB,EAAE,MAAc,EAAE,CAAS,EAAE,CAAS,EAAE,CAAS,EAAE,GAAS;QAErH,IAAM,QAAQ,GAAG,IAAI,CAAC,IAAI,EAAE,CAAC;QAE7B,IAAI,CAAC,GAAG,CAAC,OAAO,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,CAAC;QAC3B,IAAI,CAAC,KAAK,CAAC,eAAe,EAAE,GAAG,CAAC,CAAC;QAEjC,IAAI,CAAC,IAAI,CAAC,QAAQ,EAAE,UAAU,CAAC,SAAS,CAAC,MAAM,CAAC,CAAC,CAAC;QAElD,IAAI,CAAC,KAAK,CAAC,oBAAoB,EAAE,IAAI,CAAC,aAAa,CAAC,oBAAoB,EAAE,GAAG,EAAE,QAAQ,CAAC,CAAC,CAAC;QAE1F,IAAI,CAAC,cAAc,CAAC,iBAAiB,EAAE,QAAQ,CAAC,CAAC;QACjD,IAAI,CAAC,GAAG,CAAC,iBAAiB,EAAE,iBAAiB,EAAE,oBAAoB,CAAC,CAAC;QACrE,IAAI,CAAC,GAAG,CAAC,iBAAiB,EAAE,iBAAiB,EAAE,eAAe,CAAC,CAAC;QAChE,IAAI,CAAC,GAAG,CAAC,iBAAiB,EAAE,iBAAiB,EAAE,OAAO,CAAC,CAAC;QAExD,IAAI,CAAC,cAAc,CAAC,QAAQ,EAAE,iBAAiB,CAAC,CAAC;QACjD,IAAI,CAAC,GAAG,CAAC,QAAQ,EAAE,UAAU,CAAC,IAAI,CAAC,cAAc,EAAE,QAAQ,CAAC,CAAC;QAC7D,IAAI,CAAC,GAAG,CAAC,QAAQ,EAAE,QAAQ,EAAE,UAAU,CAAC,IAAI,CAAC,YAAY,CAAC,CAAC;QAE3D,IAAI,CAAC,GAAG,CAAC,qBAAqB,EAAE,oBAAoB,EAAE,eAAe,CAAC,CAAC;QAEvE,IAAM,EAAE,GAAG,CAAC,GAAG,qBAAqB,CAAC,CAAC,CAAC,CAAC;QACxC,IAAM,EAAE,GAAG,CAAC,GAAG,qBAAqB,CAAC,CAAC,CAAC,CAAC;QACxC,IAAM,EAAE,GAAG,CAAC,GAAG,qBAAqB,CAAC,CAAC,CAAC,CAAC;QAExC,wFAAwF;QACxF,OAAO,gBAAgB,CAAC,MAAM,CAAC,UAAG,MAAM,GAAG,CAAC,cAAI,CAAC,GAAG,EAAE,SAAG,CAAC,GAAG,EAAE,SAAG,CAAC,GAAG,EAAE,CAAE,EAAE,QAAQ,EAAE,EAAE,GAAG,EAAE,IAAI,CAAC,MAAM,CAAC,EAAE,EAAE,EAAE,EAAE,EAAE,CAAC,EAAE,MAAM,QAAA,EAAE,CAAC,CAAC;IACpI,CAAC;IA5Be,iCAAsB,yBA4BrC,CAAA;IAED,SAAS,iBAAiB,CAAC,GAAa;QACpC,IAAM,EAAE,GAAG,aAAa,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC;QACjC,IAAM,EAAE,GAAG,aAAa,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC;QACjC,IAAM,EAAE,GAAG,aAAa,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC;QACjC,OAAO,IAAI,CAAC,MAAM,CAAC,CAAC,EAAE,EAAE,EAAE,EAAE,EAAE,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,CAAC;IACnD,CAAC;IAED,SAAgB,cAAc,CAAC,EAAQ;QACnC,OAAO;YACH,aAAa,CAAC,WAAW,CAAC,EAAE,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,CAAC,EAAE,QAAQ,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,CAAC;YACjE,aAAa,CAAC,WAAW,CAAC,EAAE,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,CAAC,EAAE,QAAQ,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,CAAC;YACjE,aAAa,CAAC,WAAW,CAAC,EAAE,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,QAAQ,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,CAAC;SACrE,CAAC,IAAI,CAAC,GAAG,CAAC,CAAC;IAChB,CAAC;IANe,yBAAc,iBAM7B,CAAA;IAED,SAAS,WAAW,CAAC,CAAS,EAAE,CAAS,EAAE,CAAS;QAChD,IAAM,CAAC,GAAa,EAAE,CAAC;QACvB,IAAI,CAAC,GAAG,CAAC;YAAE,CAAC,CAAC,IAAI,CAAC,IAAI,CAAC,CAAC;aACnB,IAAI,CAAC,GAAG,CAAC;YAAE,CAAC,CAAC,IAAI,CAAC,IAAI,CAAC,CAAC;QAC7B,IAAI,CAAC,GAAG,CAAC;YAAE,CAAC,CAAC,IAAI,CAAC,IAAI,CAAC,CAAC;aACnB,IAAI,CAAC,GAAG,CAAC;YAAE,CAAC,CAAC,IAAI,CAAC,IAAI,CAAC,CAAC;QAC7B,IAAI,CAAC,GAAG,CAAC;YAAE,CAAC,CAAC,IAAI,CAAC,IAAI,CAAC,CAAC;aACnB,IAAI,CAAC,GAAG,CAAC;YAAE,CAAC,CAAC,IAAI,CAAC,IAAI,CAAC,CAAC;QAE7B,IAAI,CAAC,CAAC,MAAM,KAAK,CAAC,EAAE;YAChB,OAAO,CAAC,CAAC,CAAC,CAAC,CAAC,MAAM,CAAC,CAAC,CAAC,KAAK,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;SACzD;QACD,IAAI,CAAC,CAAC,MAAM,KAAK,CAAC,EAAE;YAChB,IAAM,EAAE,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC;YAC1B,IAAM,EAAE,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC;YAC1B,IAAI,EAAE,KAAK,GAAG;gBAAE,OAAO,UAAG,CAAC,CAAC,CAAC,CAAC,CAAC,MAAM,CAAC,CAAC,CAAC,SAAG,CAAC,CAAC,CAAC,CAAC,CAAE,CAAC;YAClD,IAAI,EAAE,KAAK,GAAG;gBAAE,OAAO,UAAG,CAAC,CAAC,CAAC,CAAC,CAAC,MAAM,CAAC,CAAC,CAAC,SAAG,CAAC,CAAC,CAAC,CAAC,CAAE,CAAC;SACrD;QACD,MAAM,IAAI,KAAK,CAAC,4BAAqB,CAAC,gBAAM,CAAC,cAAI,CAAC,cAAI,CAAC,CAAE,CAAC,CAAC;IAC/D,CAAC;IAED,SAAS,QAAQ,CAAC,CAAS;QACvB,QAAQ,CAAC,EAAE;YACP,KAAK,CAAC,GAAG,CAAC,CAAC,CAAC,OAAO,KAAK,CAAC;YACzB,KAAK,CAAC,GAAG,CAAC,CAAC,CAAC,OAAO,KAAK,CAAC;YACzB,KAAK,CAAC,GAAG,CAAC,CAAC,CAAC,OAAO,KAAK,CAAC;YACzB,KAAK,CAAC,GAAG,CAAC,CAAC,CAAC,OAAO,KAAK,CAAC;YACzB,KAAK,CAAC,GAAG,CAAC,CAAC,CAAC,OAAO,KAAK,CAAC;YACzB,KAAK,CAAC,GAAG,CAAC,CAAC,CAAC,OAAO,KAAK,CAAC;YACzB,KAAK,CAAC,GAAG,CAAC,CAAC,CAAC,OAAO,KAAK,CAAC;SAC5B;QACD,OAAO,EAAE,CAAC;IACd,CAAC;IAED,SAAS,aAAa,CAAC,QAAgB,EAAE,KAAa;QAClD,IAAI,KAAK,KAAK,EAAE;YAAE,OAAO,QAAQ,CAAC;QAClC,IAAI,QAAQ,CAAC,MAAM,GAAG,CAAC;YAAE,OAAO,UAAG,QAAQ,cAAI,KAAK,CAAE,CAAC;QACvD,OAAO,QAAQ,CAAC,MAAM,CAAC,CAAC,CAAC,KAAK,GAAG,CAAC,CAAC,CAAC,UAAG,KAAK,SAAG,QAAQ,CAAE,CAAC,CAAC,CAAC,UAAG,KAAK,cAAI,QAAQ,CAAE,CAAC;IACvF,CAAC;AACL,CAAC,EA9HS,UAAU,KAAV,UAAU,QA8HnB;AAED,OAAO,EAAE,UAAU,EAAE,cAAc,EAAE,CAAC"}
|
|
@@ -1493,7 +1493,7 @@ export function getSpacegroupNumberFromIndex(idx) {
|
|
|
1493
1493
|
return 1094;
|
|
1494
1494
|
if (idx === 267)
|
|
1495
1495
|
return 1197;
|
|
1496
|
-
throw new Error("unknown spacegroup index '"
|
|
1496
|
+
throw new Error("unknown spacegroup index '".concat(idx, "'"));
|
|
1497
1497
|
}
|
|
1498
1498
|
/** Maps spacegroup index to Hermann-Mauguin spacegroup name */
|
|
1499
1499
|
export var SpacegroupName = (function () {
|