@datagrok/sequence-translator 1.10.1 → 1.10.2
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/CHANGELOG.md +7 -1
- package/dist/package-test.js +1 -1
- package/dist/package-test.js.map +1 -1
- package/dist/package.js +1 -1
- package/dist/package.js.map +1 -1
- package/package.json +2 -2
- package/src/polytool/conversion/pt-synthetic.ts +4 -4
- package/test-console-output-1.log +49 -49
- package/test-record-1.mp4 +0 -0
package/package.json
CHANGED
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@@ -1,7 +1,7 @@
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{
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"name": "@datagrok/sequence-translator",
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"friendlyName": "Sequence Translator",
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-
"version": "1.10.
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+
"version": "1.10.2",
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"author": {
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"name": "Davit Rizhinashvili",
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"email": "drizhinashvili@datagrok.ai"
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@@ -22,7 +22,7 @@
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}
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],
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"dependencies": {
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-
"@datagrok-libraries/bio": "^5.60.
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+
"@datagrok-libraries/bio": "^5.60.2",
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"@datagrok-libraries/chem-meta": "^1.2.8",
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"@datagrok-libraries/tutorials": "^1.6.1",
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"@datagrok-libraries/utils": "^4.6.5",
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@@ -96,7 +96,7 @@ export function getNewMonomers(rdkit: RDModule, mLib: IMonomerLib, rule: RuleRea
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pMolblock = mol?.get_molblock();//molP?.get_v3Kmolblock();//
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} catch (err: any) {
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const [errMsg, _errStack] = errInfo(err);
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-
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+
console.error(`Can not assemble monomer '${monomerName}': ${errMsg}.`);
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throw err;
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} finally {
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mol?.delete();
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@@ -185,7 +185,7 @@ function cutReactant(rdkit: RDModule, reactant: string, rxn: RDReaction, monomer
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molBlock = molP?.get_molblock();//molP?.get_v3Kmolblock();//
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} catch (err: any) {
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const [errMsg, _errStack] = errInfo(err);
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-
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+
console.error(`Can not assemble monomer '${monomerName}': ${errMsg}.`);
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throw err;
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} finally {
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mols?.delete();
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@@ -205,7 +205,7 @@ function getReactionSmirks(rdkit: RDModule, smirks: string): RDReaction {
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} catch (err: any) {
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rxn?.delete();
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const [errMsg, _errStack] = errInfo(err);
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-
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+
console.error(`Can not assemble monomer '${smirks}': ${errMsg}.`);
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throw err;
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} finally {
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@@ -275,7 +275,7 @@ function getSyntheticMolBlock(rdkit: RDModule, reaction: string,
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molBlock = molP?.get_molblock();//molP?.get_v3Kmolblock();//
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} catch (err: any) {
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const [errMsg, _errStack] = errInfo(err);
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-
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+
console.error(`Can not assemble monomer '${monomerName}': ${errMsg}.`);
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throw err;
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} finally {
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rxn?.delete();
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