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#3445 - Atom properties "Substitution count" and "Ring bond count" co…
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…nvert incorrectly to custom query (#3446)

* #3445 - Atom properties "Substitution count" and "Ring bond count" convert incorrectly to custom query

* #3445 - Atom properties "Substitution count" and "Ring bond count" convert incorrectly to custom query
- Remove property "unsaturated" from custom query
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AKZhuk authored and Olga Mazurina committed Oct 18, 2023
1 parent 03c6140 commit 8d96cef
Showing 1 changed file with 22 additions and 5 deletions.
27 changes: 22 additions & 5 deletions packages/ketcher-core/src/application/render/restruct/reatom.ts
Original file line number Diff line number Diff line change
Expand Up @@ -1091,6 +1091,26 @@ function getRingBondCountAttrText(value: number) {
return attrText;
}

function getRingConnectivity(value: number) {
if (value > 0) {
return 'x' + value.toString();
} else if (value === -1 || value === -2) {
return 'x0';
} else {
return '';
}
}

function getDegree(value: number) {
if (value > 0) {
return 'D' + value.toString();
} else if (value === -1 || value === -2) {
return 'D0';
} else {
return '';
}
}

function getSubstitutionCountAttrText(value: number) {
let attrText: string;
if (value > 0) {
Expand Down Expand Up @@ -1152,11 +1172,8 @@ export function getAtomCustomQuery(atom) {
return charge[0] !== '-' ? `+${charge}` : charge;
},
explicitValence: (value) => (Number(value) !== -1 ? `v${value}` : ''),
ringBondCount: (value) =>
Number(value) !== 0 ? getRingBondCountAttrText(Number(value)) : '',
substitutionCount: (value) =>
Number(value) !== 0 ? getSubstitutionCountAttrText(Number(value)) : '',
unsaturatedAtom: (value) => (value ? 'u' : ''),
ringBondCount: (value) => getRingConnectivity(Number(value)),
substitutionCount: (value) => getDegree(Number(value)),
hCount: (value) =>
Number(value) > 0 ? 'H' + (Number(value) - 1).toString() : '',
implicitHCount: (value) => `h${value}`,
Expand Down

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