Backmerge: #2321 - Export of multi-character monomer IDs inside ambig…

…uous monomer works wrong

backmerge to master

api/tests/integration/tests/formats/helm_to_ket.py

@@ -37,8 +37,8 @@ def find_diff(a, b):
     "helm_chem_rna": "CHEM1{[MCC]}|RNA1{R(U)P}$CHEM1,RNA1,1:R1-3:R2$$$V2.0",
     "helm_rna_without_base": "RNA1{RP}$$$$V2.0",
     "helm_mixed_base": "RNA1{[dR](A)P.[dR](A+G)P.[dR](A)P.[dR](G+C)}$$$$V2.0",
-    "helm_mixed_custom": "RNA1{[dR](A:10+C:20+G:30+T:50)P.[dR](A:10+C:20+G:30+T:50)P.[dR](A+C+G+T)}$$$$V2.0",
-    "aminoacids_variants": "PEPTIDE1{(D+N).(L+I).(E+Q).(A+C+D+E+F+G+H+I+K+L+M+N+O+P+Q+R+S+T+U+V+W+Y)}$$$$V2.0",
+    "helm_mixed_custom": "RNA1{[dR](A:10+[Xan]:20+G:30+T:50)P.[dR](A:10+C:20+G:30+T:50)P.[dR](A+C+G+T)}$$$$V2.0",
+    "aminoacids_variants": "PEPTIDE1{([Dha]+N).(L+I).(E+Q).(A+C+D+E+F+G+H+I+K+L+M+N+O+P+Q+R+S+T+U+V+W+Y)}$$$$V2.0",
     "helm_smiles": "PEPTIDE1{G.[[*]N[C@@H](C=O)C([*])=O |$_R1;;;;;;_R2;$|].C}|PEPTIDE2{G.[[*:1]N[C@@H](C=O)C([*:2])=O].C}$$$$",
     "helm_smiles_sugar": "RNA1{[C([*:3])[C@@H](O[*:2])CO[*:1]](A)P}$$$$V2.0",
     "helm_no_left_ap": "PEPTIDE1{[DACys].C}$$$$V2.0",

api/tests/integration/tests/formats/ket_to_helm.py

@@ -43,8 +43,8 @@ def find_diff(a, b):
     "helm_rna_without_base": "RNA1{RP}$$$$V2.0",
     "helm_cycled_polymer": "PEPTIDE1{A.C.D.E.F}$PEPTIDE1,PEPTIDE1,5:R2-1:R1$$$V2.0",
     "helm_mixed_base": "RNA1{[dR](A)P.[dR](A+G)P.[dR](A)P.[dR](G+C)}$$$$V2.0",
-    "helm_mixed_custom": "RNA1{[dR](A:10+C:20+G:30+T:50)P.[dR](A:10+C:20+G:30+T:50)P.[dR](A+C+G+T)}$$$$V2.0",
-    "aminoacids_variants": "PEPTIDE1{(D+N).(L+I).(E+Q).(A+C+D+E+F+G+H+I+K+L+M+N+O+P+Q+R+S+T+U+V+W+Y)}$$$$V2.0",
+    "helm_mixed_custom": "RNA1{[dR](A:10+[Xan]:20+G:30+T:50)P.[dR](A:10+C:20+G:30+T:50)P.[dR](A+C+G+T)}$$$$V2.0",
+    "aminoacids_variants": "PEPTIDE1{([Dha]+N).(L+I).(E+Q).(A+C+D+E+F+G+H+I+K+L+M+N+O+P+Q+R+S+T+U+V+W+Y)}$$$$V2.0",
     "dna_variants": "RNA1{[dR](C+G+T)P.[dR](A+C+G+T)}$$$$V2.0",
     "rna_variants": "RNA1{R(G+T)P.R(A+C+G+T)}$$$$V2.0",
     "helm_monomer_molecule": "PEPTIDE1{A}|PEPTIDE2{G}|CHEM1{[C(N[*:2])=C[*:1] |$;;_R2;;_R1$|]}$CHEM1,PEPTIDE1,1:R2-1:R1$$$V2.0",