#3326 - Add text field for query SMARTS advanced features

- Fix PR comments
epam · Sep 21, 2023 · 410b310 · 410b310
1 parent 6d235be
commit 410b310
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Showing 2 changed files with 30 additions and 30 deletions.
diff --git a/packages/ketcher-core/src/application/render/restruct/reatom.ts b/packages/ketcher-core/src/application/render/restruct/reatom.ts
@@ -1079,19 +1079,27 @@ function getRingBondCountAttrText(value: number) {
   let attrText: string;
   if (value > 0) {
     attrText = 'rb' + value.toString();
-  } else if (value === -1) attrText = 'rb0';
-  else if (value === -2) attrText = 'rb*';
-  else throw new Error('Ring bond count invalid');
+  } else if (value === -1) {
+    attrText = 'rb0';
+  } else if (value === -2) {
+    attrText = 'rb*';
+  } else {
+    throw new Error('Ring bond count invalid');
+  }
   return attrText;
 }
 
 function getSubstitutionCountAttrText(value: number) {
   let attrText: string;
   if (value > 0) {
     attrText = 's' + value.toString();
-  } else if (value === -1) attrText = 's0';
-  else if (value === -2) attrText = 's*';
-  else throw new Error('Substitution count invalid');
+  } else if (value === -1) {
+    attrText = 's0';
+  } else if (value === -2) {
+    attrText = 's*';
+  } else {
+    throw new Error('Substitution count invalid');
+  }
   return attrText;
 }
 
@@ -1178,19 +1186,11 @@ function getQueryAttrsText(atom, isAromatized: boolean) {
     return customQuery;
   }
   if (ringBondCount !== 0) {
-    if (ringBondCount > 0) {
-      queryAttrsText += 'rb' + ringBondCount.toString();
-    } else if (ringBondCount === -1) queryAttrsText += 'rb0';
-    else if (ringBondCount === -2) queryAttrsText += 'rb*';
-    else throw new Error('Ring bond count invalid');
+    queryAttrsText += getRingBondCountAttrText(ringBondCount);
   }
   if (substitutionCount !== 0) {
     addSemicolon();
-    if (substitutionCount > 0) {
-      queryAttrsText += 's' + substitutionCount.toString();
-    } else if (substitutionCount === -1) queryAttrsText += 's0';
-    else if (substitutionCount === -2) queryAttrsText += 's*';
-    else throw new Error('Substitution count invalid');
+    queryAttrsText += getSubstitutionCountAttrText(substitutionCount);
   }
   if (unsaturatedAtom > 0) {
     addSemicolon();

diff --git a/packages/ketcher-react/src/script/ui/data/convert/structconv.js b/packages/ketcher-react/src/script/ui/data/convert/structconv.js
@@ -110,7 +110,7 @@ export function fromAtom(satom) {
   };
 }
 
-export function toAtom(satom) {
+export function toAtom(atom) {
   // TODO merge this to Atom.attrlist?
   //      see ratomtool
   const {
@@ -123,11 +123,11 @@ export function toAtom(satom) {
     chirality,
     atomicMass,
     customQuery,
-    ...atom
-  } = satom;
+    ...restAtom
+  } = atom;
   if (customQuery) {
-    return Object.assign({}, atom, {
-      label: capitalize(atom.label),
+    return Object.assign({}, restAtom, {
+      label: capitalize(restAtom.label),
       alias: null,
       charge: 0,
       isotope: 0,
@@ -155,18 +155,18 @@ export function toAtom(satom) {
     });
   }
   const chargeRegexp = new RegExp(atomSchema.properties.charge.pattern);
-  const pch = chargeRegexp.exec(atom.charge);
-  const charge = pch ? parseInt(pch[1] + pch[3] + pch[2]) : atom.charge;
-
-  const conv = Object.assign({}, atom, {
-    label: capitalize(atom.label),
-    alias: atom.alias || null,
-    exactChangeFlag: +(atom.exactChangeFlag ?? false),
-    unsaturatedAtom: +(atom.unsaturatedAtom ?? false),
+  const pch = chargeRegexp.exec(restAtom.charge);
+  const charge = pch ? parseInt(pch[1] + pch[3] + pch[2]) : restAtom.charge;
+
+  const conv = Object.assign({}, restAtom, {
+    label: capitalize(restAtom.label),
+    alias: restAtom.alias || null,
+    exactChangeFlag: +(restAtom.exactChangeFlag ?? false),
+    unsaturatedAtom: +(restAtom.unsaturatedAtom ?? false),
     queryProperties: {
       aromaticity,
       degree,
-      implicitHCount: atom.implicitHCount,
+      implicitHCount: restAtom.implicitHCount,
       ringMembership,
       ringSize,
       connectivity,