Backmerge: #2077 Export of CHEM-Nucleotide to HELM is wrong

backmerge to master
epam · Jul 5, 2024 · 4d8c46c · 4d8c46c
1 parent 0cdad5f
commit 4d8c46c
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Showing 6 changed files with 889 additions and 1 deletion.
diff --git a/api/tests/integration/ref/formats/helm_to_ket.py.out b/api/tests/integration/ref/formats/helm_to_ket.py.out
@@ -1,6 +1,7 @@
 *** HELM to KET ***
 helm_annotations.ket:SUCCEED
 helm_chem_peptide.ket:SUCCEED
+helm_chem_rna.ket:SUCCEED
 helm_multi_char_rna.ket:SUCCEED
 helm_peptide.ket:SUCCEED
 helm_simple_rna.ket:SUCCEED

diff --git a/api/tests/integration/ref/formats/ket_to_helm.py.out b/api/tests/integration/ref/formats/ket_to_helm.py.out
@@ -1,6 +1,7 @@
 *** KET to HELM ***
 helm_annotations.ket:SUCCEED
 helm_chem_peptide.ket:SUCCEED
+helm_chem_rna.ket:SUCCEED
 helm_connetion_separator.ket:SUCCEED
 helm_multi_char_rna.ket:SUCCEED
 helm_peptide.ket:SUCCEED

diff --git a/api/tests/integration/tests/formats/helm_to_ket.py b/api/tests/integration/tests/formats/helm_to_ket.py
@@ -34,6 +34,7 @@ def find_diff(a, b):
     "helm_peptide": "PEPTIDE1{A.[meA].C}$$$$V2.0",
     "helm_chem_peptide": "CHEM1{[PEG2]}|PEPTIDE1{W.N.D.[Pen].G.[Orn].D.A.D.G.S.G.[Cap]}$CHEM1,PEPTIDE1,1:R1-1:R1$$$V2.0",
     "helm_annotations": 'BLOB1{BEAD}"Animated Polystyrene"|CHEM1{[hxy]"Annotation"}|RNA1{R(A"mutation")P.R(U)P.R(G)P}$$$$V2.0',
+    "helm_chem_rna": "CHEM1{[MCC]}|RNA1{R(U)P}$CHEM1,RNA1,1:R1-3:R2$$$V2.0",
 }
 
 lib = indigo.loadMoleculeFromFile(

diff --git a/api/tests/integration/tests/formats/ket_to_helm.py b/api/tests/integration/tests/formats/ket_to_helm.py
@@ -37,6 +37,7 @@ def find_diff(a, b):
     "helm_chem_peptide": "CHEM1{[PEG2]}|PEPTIDE1{W.N.D.[Pen].G.[Orn].D.A.D.G.S.G.[Cap]}$CHEM1,PEPTIDE1,1:R1-1:R1$$$V2.0",
     "helm_annotations": "CHEM1{[hxy]}|RNA1{R(A)P.R(U)P.R(G)P}$$$$V2.0",
     "helm_connetion_separator": "PEPTIDE1{A}|CHEM1{[A6OH]}|PEPTIDE2{C}$PEPTIDE1,CHEM1,1:R2-1:R1|PEPTIDE2,CHEM1,1:R1-1:R2$$$V2.0",
+    "helm_chem_rna": "CHEM1{[MCC]}|RNA1{R(U)P}$CHEM1,RNA1,1:R1-3:R2$$$V2.0",
 }
 
 for filename in sorted(helm_data.keys()):