Merge pull request #1779 from epam/1778-fix-nan-in-mol-files

Ketcher creates invalid molfiles with "NaN"
epam · Oct 20, 2022 · 7526c0c · 7526c0c
2 parents 9f19226 + 3c5c457
commit 7526c0c
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Showing 2 changed files with 6 additions and 3 deletions.
diff --git a/packages/ketcher-core/src/domain/serializers/mol/molfile.ts b/packages/ketcher-core/src/domain/serializers/mol/molfile.ts
@@ -260,7 +260,10 @@ export class Molfile {
     )
     this.writePaddedNumber(isAbsFlag ? 1 : 0, 3)
     this.writePaddedNumber(0, 3)
-    this.writeWhiteSpace(12)
+    this.writePaddedNumber(0, 3)
+    this.writePaddedNumber(0, 3)
+    this.writePaddedNumber(0, 3)
+    this.writePaddedNumber(0, 3)
     this.writePaddedNumber(999, 3)
     this.writeCR(' V2000')
   }

diff --git a/packages/ketcher-react/src/script/ui/data/convert/structconv.js b/packages/ketcher-react/src/script/ui/data/convert/structconv.js
@@ -97,8 +97,8 @@ function toAtom(atom) {
   const conv = Object.assign({}, atom, {
     label: capitalize(atom.label),
     alias: atom.alias || null,
-    exactChangeFlag: +atom.exactChangeFlag,
-    unsaturatedAtom: +atom.unsaturatedAtom
+    exactChangeFlag: +(atom.exactChangeFlag ?? false),
+    unsaturatedAtom: +(atom.unsaturatedAtom ?? false)
   })
   if (charge !== undefined) conv.charge = charge
   return conv