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Aniuta907Anna Kuznetsova1
and
Anna Kuznetsova1
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#36 Warning message should appear for S-Groups and Data S-Group while saving in Extended SMILES and Inchi Auxinfo formats #104
- fix warning message Co-authored-by: Anna Kuznetsova1 <[email protected]>
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src/script/ui/data/convert/structformat.js

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@@ -188,7 +188,12 @@ export function fromString(structStr, opts, server, serverOpts) {
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}
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export function couldBeSaved(struct, format) {
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if (format === 'inchi' || format === 'smiles') {
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if (
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format === 'inchi' ||
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format === 'inchi-aux' ||
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format === 'smiles' ||
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format === 'smiles-ext'
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) {
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if (struct.rgroups.size !== 0)
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return `In ${map[format].name} the structure will be saved without R-group fragments`
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struct = struct.clone() // need this: .getScaffold()

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