@cosmol-studio/cosmolkit 0.5.0 → 0.5.1-rc.2

package/README.md

@@ -222,6 +222,11 @@ call `.free()` when a long-lived UI state or worker no longer needs it. Methods
 such as `withHydrogens()`, `with2dCoordinates()`, and
 `with3dConformer()` return new values and leave the source value unchanged.
 
+In-place molecule operations retain the trailing `_` in JavaScript, such as
+`addHydrogens_()` and `add2dCoordinates_()`. Their configured forms also retain
+it: `add2dCoordinatesWithParams_(params)`. Use `with2dCoordinates()` or
+`with2dCoordinatesWithParams(params)` when a new molecule is required.
+
 Fingerprint methods return `Uint32Array` set-bit lists. Coordinate methods
 return flattened `Float64Array` values. Native binary archives are intentionally
 not part of the WASM API.

package/package.json

@@ -1,11 +1,11 @@
 {
   "name": "@cosmol-studio/cosmolkit",
-  "version": "0.5.0",
+  "version": "0.5.1-rc.2",
   "cosmolkitPreset": "full",
-  "cosmolkitVersion": "0.5.0",
+  "cosmolkitVersion": "0.5.1-rc.2",
   "publishConfig": {
     "access": "public",
-    "tag": "latest"
+    "tag": "rc"
   },
   "description": "WebAssembly bindings for COSMolKit",
   "type": "module",

package/snippets/wasm-wasm-e3bae62d6870a044/inline1.js

@@ -0,0 +1 @@
+export function visit_BioReadParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline10.js

@@ -0,0 +1 @@
+export function visit_TopologicalFingerprintParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline100.js

@@ -0,0 +1 @@
+export function visit_MmffOptimizationParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline101.js

@@ -0,0 +1 @@
+export function visit_MmffConformerOptimizationParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline102.js

@@ -0,0 +1 @@
+export function visit_MmffEvaluationParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline103.js

@@ -0,0 +1 @@
+export function visit_InchiReadParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline104.js

@@ -0,0 +1 @@
+export function visit_InchiWriteParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline105.js

@@ -0,0 +1 @@
+export function visit_MaccsFingerprintParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline106.js

@@ -0,0 +1 @@
+export function visit_RingSearchParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline109.js

@@ -0,0 +1 @@
+export function visit_AvalonFingerprintOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline11.js

@@ -0,0 +1 @@
+export function visit_BatchImageParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline112.js

@@ -0,0 +1 @@
+export function visit_SubstructMatchOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline114.js

@@ -0,0 +1 @@
+export function visit_SmartsWriteParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline117.js

@@ -0,0 +1 @@
+export function visit_DistanceMatrix3dParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline119.js

@@ -0,0 +1 @@
+export function visit_DistanceMatrixParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline124.js

@@ -0,0 +1 @@
+export function visitTautomerScoreTerm(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline125.js

@@ -0,0 +1 @@
+export function visit_TautomerParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline126.js

@@ -0,0 +1 @@
+export function visit_TautomerScoreParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline127.js

@@ -0,0 +1 @@
+export function visitTautomerMolecule(v,f){try{f(v);}catch(cause){throw new TypeError('expected Molecule',{cause});}}

package/snippets/wasm-wasm-e3bae62d6870a044/inline129.js

@@ -0,0 +1 @@
+export function visit_XyzWriteParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline130.js

@@ -0,0 +1 @@
+export function visit_Mol2ReadParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline131.js

@@ -0,0 +1 @@
+export function visitAttachment(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline15.js

@@ -0,0 +1 @@
+export function visit_BatchQueryParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline17.js

@@ -0,0 +1 @@
+export function visitStereoisomerRandomSource(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline18.js

@@ -0,0 +1 @@
+export function visit_StereoisomerOptionsConfiguration_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline2.js

@@ -0,0 +1 @@
+export function visit_BioPdbReadParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline20.js

@@ -0,0 +1 @@
+export function visit_BatchParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline21.js

@@ -0,0 +1 @@
+export function visit_BioMoleculeParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline24.js

@@ -0,0 +1 @@
+export function visit_MolBlockWriteParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline26.js

@@ -0,0 +1 @@
+export function visitPropertyValueText(v,f){try{f(v);}catch(cause){throw new TypeError('expected PropertyValue',{cause});}}

package/snippets/wasm-wasm-e3bae62d6870a044/inline27.js

@@ -0,0 +1 @@
+export function visit_Coordinate2DInputParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline28.js

@@ -0,0 +1 @@
+export function visit_Replace3DCoordinatesParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline29.js

@@ -0,0 +1 @@
+export function visitCoordinateZPolicy(v,f){try{f(v);}catch(cause){throw new TypeError('invalid CoordinateZPolicy',{cause});}}

package/snippets/wasm-wasm-e3bae62d6870a044/inline3.js

@@ -0,0 +1 @@
+export function visit_BioPdbWriteParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline30.js

@@ -0,0 +1 @@
+export function visit_Coordinate3DInputParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline31.js

@@ -0,0 +1 @@
+export function visit_AtomPositionParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline32.js

@@ -0,0 +1 @@
+export function visit_EmbedParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline33.js

@@ -0,0 +1 @@
+export function visitNotationFields(v,f){try{f(v);}catch(cause){throw new TypeError('invalid CxSmilesFields',{cause});}} export function visitNotationSelection(v,f){try{f(v);}catch(cause){throw new TypeError('invalid CxCoordinateSelection',{cause});}}

package/snippets/wasm-wasm-e3bae62d6870a044/inline34.js

@@ -0,0 +1 @@
+export function visit_CxSmilesWriteParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline35.js

@@ -0,0 +1 @@
+export function visit_RandomSmilesWriteParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline36.js

@@ -0,0 +1 @@
+export function visit_FragmentSmilesWriteParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline37.js

@@ -0,0 +1 @@
+export function visit_FragmentCxSmilesWriteParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline38.js

@@ -0,0 +1 @@
+export function visit_MorganParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline39.js

@@ -0,0 +1 @@
+export function visit_MorganCallParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline4.js

@@ -0,0 +1 @@
+export function visit_BioMmcifWriteParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline41.js

@@ -0,0 +1 @@
+export function visit_MorganBondInvariantsGeneratorOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline42.js

@@ -0,0 +1 @@
+export function visit_MorganFingerprintParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline43.js

@@ -0,0 +1 @@
+export function visit_SmilesParseParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline44.js

@@ -0,0 +1 @@
+export function visit_SmilesWriteParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline45.js

@@ -0,0 +1 @@
+export function visit_StructureTagParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline46.js

@@ -0,0 +1 @@
+export function visit_CipLabelOptionsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline47.js

@@ -0,0 +1 @@
+export function visit_PotentialStereoParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline48.js

@@ -0,0 +1 @@
+export function visit_SmartsParseParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline49.js

@@ -0,0 +1 @@
+export function visit_ValenceParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline5.js

@@ -0,0 +1 @@
+export function visit_BatchExportParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline50.js

@@ -0,0 +1 @@
+export function visit_ReactionValidationParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline51.js

@@ -0,0 +1 @@
+export function visit_ReactionRunParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline52.js

@@ -0,0 +1 @@
+export function visit_ReactionSingleRunParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline54.js

@@ -0,0 +1 @@
+export function visit_ReactionTemplateRemovalParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline55.js

@@ -0,0 +1 @@
+export function visit_ReactionWriteParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline57.js

@@ -0,0 +1 @@
+export function visit_ReactionApplyParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline58.js

@@ -0,0 +1 @@
+export function visit_ReactionParseParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline59.js

@@ -0,0 +1 @@
+export function visit_AlignmentParametersOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline60.js

@@ -0,0 +1 @@
+export function visit_AllConformerRmsdParametersOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline61.js

@@ -0,0 +1 @@
+export function visit_CoordinateRmsdParametersOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline62.js

@@ -0,0 +1 @@
+export function visit_ConformerAlignmentParametersOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline63.js

@@ -0,0 +1 @@
+export function visit_BestAlignmentParametersOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline64.js

@@ -0,0 +1 @@
+export function visit_AromaticityParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline65.js

@@ -0,0 +1 @@
+export function visit_AtomPairAtomInvariantsGeneratorOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline66.js

@@ -0,0 +1 @@
+export function visit_AtomPairFingerprintParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline68.js

@@ -0,0 +1 @@
+export function visit_AtomPairParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline69.js

@@ -0,0 +1 @@
+export function visit_KekulizeParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline70.js

@@ -0,0 +1 @@
+export function visit_RemoveHsParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline71.js

@@ -0,0 +1 @@
+export function visit_Coordinate2DParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline73.js

@@ -0,0 +1 @@
+export function visit_AddHsParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline74.js

@@ -0,0 +1 @@
+export function visit_SanitizeParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline75.js

@@ -0,0 +1 @@
+export function visit_MmffPropertiesParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline77.js

@@ -0,0 +1 @@
+export function visit_PatternFingerprintParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline78.js

@@ -0,0 +1 @@
+export function visit_LayeredFingerprintOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline8.js

@@ -0,0 +1 @@
+export function visit_SdfReadParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline80.js

@@ -0,0 +1 @@
+export function visit_MmffForceFieldParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline81.js

@@ -0,0 +1 @@
+export function visit_ForceFieldMinimizeParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline82.js

@@ -0,0 +1 @@
+export function visit_UffForceFieldParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline85.js

@@ -0,0 +1 @@
+export function visit_LegacyTopologicalTorsionParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline87.js

@@ -0,0 +1 @@
+export function visit_TopologicalTorsionFingerprintParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline88.js

@@ -0,0 +1 @@
+export function visit_TopologicalTorsionCallParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline89.js

@@ -0,0 +1 @@
+export function visit_TopologicalTorsionParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline9.js

@@ -0,0 +1 @@
+export function visit_TopologicalFingerprintOutputRequestOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline91.js

@@ -0,0 +1 @@
+export function visit_McsBondCompareParametersOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline94.js

@@ -0,0 +1 @@
+export function visit_McsParametersOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline96.js

@@ -0,0 +1 @@
+export function visit_McsAtomCompareParametersOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline97.js

@@ -0,0 +1 @@
+export function visit_UffEvaluationParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline98.js

@@ -0,0 +1 @@
+export function visit_UffConformerOptimizationParamsOptions_configuration(value, visit) { visit(value); }

package/snippets/wasm-wasm-e3bae62d6870a044/inline99.js

@@ -0,0 +1 @@
+export function visit_UffOptimizationParamsOptions_configuration(value, visit) { visit(value); }