npm - @datagrok-libraries/bio - Versions diffs - 5.39.2 → 5.39.3 - Mend

@datagrok-libraries/bio 5.39.2 → 5.39.3

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.

Files changed (7) hide show

package/package.json CHANGED Viewed

@@ -8,7 +8,7 @@
     "access": "public"
   },
   "friendlyName": "Datagrok bio library",
-  "version": "5.39.2",
+  "version": "5.39.3",
   "description": "",
   "dependencies": {
     "@datagrok-libraries/gridext": "^1.3.64",

package/src/monomer-works/to-atomic-level.d.ts.map CHANGED Viewed

	@@ -1 +1 @@
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1	+ {"version":3,"file":"to-atomic-level.d.ts","sourceRoot":"","sources":["to-atomic-level.ts"],"names":[],"mappings":"AAEA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AAMtC,OAAO,EAAc,iBAAiB,EAAqB,MAAM,gBAAgB,CAAC;AAClF,OAAO,EAAC,QAAQ,EAAW,MAAM,+BAA+B,CAAC;AACjE,OAAO,EAAC,WAAW,EAAE,OAAO,EAAC,MAAM,UAAU,CAAC;AAO9C,OAAO,EAAQ,KAAK,EAAe,QAAQ,EAAwC,MAAM,SAAS,CAAC;AAOnG;;;;GAIG;AACH,wBAAsB,cAAc,CAClC,EAAE,EAAE,EAAE,CAAC,SAAS,EAAE,MAAM,EAAE,EAAE,CAAC,MAAM,CAAC,MAAM,CAAC,EAAE,UAAU,EAAE,WAAW,GACnE,OAAO,CAAC;IAAE,GAAG,EAAE,EAAE,CAAC,MAAM,GAAG,IAAI,CAAC;IAAC,QAAQ,EAAE,MAAM,EAAG,CAAA;CAAE,CAAC,CAsDzD;AAED;;4EAE4E;AAC5E,wBAAgB,wBAAwB,CAAC,WAAW,EAAE,EAAE,CAAC,MAAM,CAAC,MAAM,CAAC,GAAG,MAAM,EAAE,EAAE,CAcnF;AAGD;;;;;;;qFAOqF;AACrF,wBAAsB,sBAAsB,CAC1C,qBAAqB,EAAE,MAAM,EAAE,EAAE,EAAE,UAAU,EAAE,WAAW,EAAE,WAAW,EAAE,iBAAiB,EAAE,QAAQ,EAAE,QAAQ,GAC7G,OAAO,CAAC,GAAG,CAAC,MAAM,EAAE,QAAQ,CAAC,CAAC,CAsChC;AAqID;;wDAEwD;AACxD,wBAAgB,cAAc,CAAC,aAAa,EAAE,GAAG,EAAE,GAAG,MAAM,EAAE,CAe7D;AAmGD;;;qCAGqC;AACrC,wBAAgB,mBAAmB,CAAC,UAAU,EAAE,MAAM,EAAE,WAAW,EAAE,GAAG,GAAG,MAAM,CAMhF;AAED;;;mCAGmC;AACnC,wBAAgB,cAAc,CAAC,UAAU,EAAE,MAAM,EAAE,SAAS,EAAE,MAAM,GAAG,KAAK,CA8C3E;AAED;;;;+EAI+E;AAC/E,wBAAgB,mBAAmB,CAAC,UAAU,EAAE,MAAM,GAAG,GAAG,CAAC,MAAM,EAAE,MAAM,CAAC,CAyC3E;AAED,wBAAgB,sBAAsB,CAAC,UAAU,EAAE,MAAM,GAAG;IAAE,SAAS,EAAE,MAAM,CAAC;IAAC,SAAS,EAAE,MAAM,CAAA;CAAE,CAcnG;AA6cD,wBAAgB,2BAA2B,CAAC,QAAQ,EAAE,QAAQ,GAAG,MAAM,CAmEtE;AAED,wBAAsB,2BAA2B,CAAC,eAAe,EAAE,GAAG,EAAE,GAAG,OAAO,CAAC,GAAG,CAAC,MAAM,EAAE,MAAM,CAAC,GAAG,SAAS,CAAC,CA6BlH;AAED;;iCAEiC;AACjC,wBAAgB,iBAAiB,CAAC,OAAO,EAAE,OAAO,GAAG,MAAM,CAmB1D"}

package/src/monomer-works/to-atomic-level.js CHANGED Viewed

@@ -764,6 +764,7 @@ function flipHydroxilGroup(monomer, doubleBondedOxygen) {
 function findDoubleBondedCarbonylOxygen(monomer) {
     const bondsMap = constructBondsMap(monomer);
     let doubleBondedOxygen = 0;
+    const sentinel = Math.pow(monomer.atoms.atomTypes.length, 2);
     let i = 0;
     // iterate over the nodes bonded to the carbon and find the double one
     while (doubleBondedOxygen === 0) {
@@ -771,6 +772,8 @@ function findDoubleBondedCarbonylOxygen(monomer) {
         if (monomer.atoms.atomTypes[node - 1] === C.OXYGEN && node !== monomer.meta.rNodes[1])
             doubleBondedOxygen = node;
         i++;
+        if (i > sentinel)
+            throw new Error(`Search for double-bonded Oxygen in ${monomer} has exceeded the limit of ${sentinel}`);
     }
     return doubleBondedOxygen;
 }

package/src/monomer-works/to-atomic-level.js.map CHANGED Viewed

	@@ -1 +1 @@
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package/src/utils/poly-tool/monomer-lib-handler.d.ts.map CHANGED Viewed

	@@ -1 +1 @@
1	- {"version":3,"file":"monomer-lib-handler.d.ts","sourceRoot":"","sources":["monomer-lib-handler.ts"],"names":[],"mappings":"AAUA,qBAAa,yBAAyB;IACxB,OAAO,CAAC,MAAM;gBAAN,MAAM,EAAE,GAAG,EAAE;IAEjC,OAAO,IAAI,OAAO;IAUlB,iBAAiB,IAAI,GAAG;~~IAUxB~~,OAAO,CAAC,cAAc;CAuBvB"}
1	+ {"version":3,"file":"monomer-lib-handler.d.ts","sourceRoot":"","sources":["monomer-lib-handler.ts"],"names":[],"mappings":"AAUA,qBAAa,yBAAyB;IACxB,OAAO,CAAC,MAAM;gBAAN,MAAM,EAAE,GAAG,EAAE;IAEjC,OAAO,IAAI,OAAO;IAUlB,iBAAiB,IAAI,GAAG;IASxB,OAAO,CAAC,cAAc;CAuBvB"}

package/src/utils/poly-tool/monomer-lib-handler.js CHANGED Viewed

@@ -19,7 +19,6 @@ export class PolyToolMonomerLibHandler {
             const monomer = this.prepareMonomer(rawMonomer);
             resultLib.push(monomer);
         });
-        console.log('resultLib:', resultLib);
         return resultLib;
     }
     prepareMonomer(rawMonomer) {

package/src/utils/poly-tool/monomer-lib-handler.js.map CHANGED Viewed

	@@ -1 +1 @@
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