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Backmerge: #2660 - Export to three letter amino acid codes cause convert error #2663

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merged 1 commit into from
Nov 28, 2024
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Backmerge: #2660 - Export to three letter amino acid codes cause convert error #2663

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13 changes: 10 additions & 3 deletions api/wasm/indigo-ketcher/indigo-ketcher.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -542,9 +542,16 @@ namespace indigo
input_format = it->second;

bool use_document = false;
static const std::set<std::string> document_formats{
"sequence", "chemical/x-sequence", "chemical/x-peptide-sequence-3-letter", "fasta", "chemical/x-fasta", "idt", "chemical/x-idt",
"helm", "chemical/x-helm"};
static const std::set<std::string> document_formats{"sequence",
"chemical/x-sequence",
"peptide-sequence-3-letter",
"chemical/x-peptide-sequence-3-letter",
"fasta",
"chemical/x-fasta",
"idt",
"chemical/x-idt",
"helm",
"chemical/x-helm"};
if ((input_format == "ket" || input_format == "application/json") && outputFormat.size() > 0 && document_formats.count(outputFormat) > 0)
use_document = true;
IndigoKetcherObject iko = loadMoleculeOrReaction(data, options_copy, library, use_document);
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3 changes: 3 additions & 0 deletions api/wasm/indigo-ketcher/test/test.js
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Expand Up @@ -857,6 +857,9 @@ M END
options.set("output-content-type", "chemical/x-peptide-sequence-3-letter");
const peptide_seq = indigo.convert(peptide_ket_ref.toString(), "chemical/x-peptide-sequence-3-letter", options);
assert.equal(peptide_seq, peptide_seq_ref);
options.set("output-content-type", "peptide-sequence-3-letter");
const peptide_seq1 = indigo.convert(peptide_ket_ref.toString(), "peptide-sequence-3-letter", options);
assert.equal(peptide_seq1, peptide_seq_ref);
options.delete();
});
}
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