all fixed
GitHub Actions / ubuntu-latest-x86_64-dotnet_test_report
failed
Sep 19, 2024 in 0s
276 tests run, 272 passed, 0 skipped, 4 failed.
Annotations
Check failure on line 1 in api/c/tests/unit/tests/formats.cpp
github-actions / ubuntu-latest-x86_64-dotnet_test_report
formats.ket_retrosynthetic_arrow
[FAILED]
Raw output
Diff:
- ket_retro_arrow_and_simple_arrow_2000.rxn:SUCCEED
+ ket_retro_arrow_and_simple_arrow_2000.rxn:FAILED
- output format: RXN 3000
+ ---
- ket_retro_arrow_and_simple_arrow_3000.rxn:SUCCEED
- output format: SMILES
+ +++
- ket_retro_arrow_and_simple_arrow.smi:SUCCEED
- output format: SMARTS
+ @@ -2,17 +2,19 @@
- ket_retro_arrow_and_simple_arrow.smarts:SUCCEED
- output format: CML
+
- ket_retro_arrow_and_simple_arrow.cml:SUCCEED
+ -INDIGO- 0100000000
+
+ - 1 2
+ + 0 2
+ $MOL
+
+ -INDIGO-01000000002D
+
+ - 3 2 0 0 0 0 0 0 0 0999 V2000
+ - 12.6749 -5.8700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
+ - 13.5409 -6.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 14.4070 -5.8700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
+ + 4 3 0 0 0 0 0 0 0 0999 V2000
+ + 7.9339 -6.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 7.9339 -5.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 7.0679 -5.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 8.7999 -5.3700 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
+ 1 2 1 0 0 0 0
+ 2 3 1 0 0 0 0
+ + 2 4 1 0 0 0 0
+ M END
+ $MOL
+
+ @@ -30,16 +32,3 @@
+ 3 2 1 0 0 0 0
+ 2 1 1 0 0 0 0
+ M END
+ -$MOL
+ -
+ - -INDIGO-01000000002D
+ -
+ - 4 3 0 0 0 0 0 0 0 0999 V2000
+ - 7.9339 -6.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 7.9339 -5.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 7.0679 -5.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 8.7999 -5.3700 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
+ - 1 2 1 0 0 0 0
+ - 2 3 1 0 0 0 0
+ - 2 4 1 0 0 0 0
+ -M END
+ output format: RXN 3000
+ ket_retro_arrow_and_simple_arrow_3000.rxn:FAILED
+ ---
+ +++
+ @@ -2,22 +2,24 @@
+
+ -INDIGO- 0100000000
+
+ -M V30 COUNTS 1 2
+ +M V30 COUNTS 0 2
+ M V30 BEGIN REACTANT
+ +M V30 END REACTANT
+ +M V30 BEGIN PRODUCT
+ M V30 BEGIN CTAB
+ -M V30 COUNTS 3 2 0 0 0
+ +M V30 COUNTS 4 3 0 0 0
+ M V30 BEGIN ATOM
+ -M V30 1 O 12.6749 -5.87002 0.0 0
+ -M V30 2 C 13.5409 -6.37002 0.0 0
+ -M V30 3 O 14.407 -5.87002 0.0 0
+ +M V30 1 C 7.93391 -6.87002 0.0 0
+ +M V30 2 C 7.93391 -5.87002 0.0 0
+ +M V30 3 C 7.06788 -5.37003 0.0 0
+ +M V30 4 N 8.79993 -5.37003 0.0 0
+ M V30 END ATOM
+ M V30 BEGIN BOND
+ M V30 1 1 1 2
+ M V30 2 1 2 3
+ +M V30 3 1 2 4
+ M V30 END BOND
+ M V30 END CTAB
+ -M V30 END REACTANT
+ -M V30 BEGIN PRODUCT
+ M V30 BEGIN CTAB
+ M V30 COUNTS 5 5 0 0 0
+ M V30 BEGIN ATOM
+ @@ -35,19 +37,5 @@
+ M V30 5 1 2 1
+ M V30 END BOND
+ M V30 END CTAB
+ -M V30 BEGIN CTAB
+ -M V30 COUNTS 4 3 0 0 0
+ -M V30 BEGIN ATOM
+ -M V30 1 C 7.93391 -6.87002 0.0 0
+ -M V30 2 C 7.93391 -5.87002 0.0 0
+ -M V30 3 C 7.06788 -5.37003 0.0 0
+ -M V30 4 N 8.79993 -5.37003 0.0 0
+ -M V30 END ATOM
+ -M V30 BEGIN BOND
+ -M V30 1 1 1 2
+ -M V30 2 1 2 3
+ -M V30 3 1 2 4
+ -M V30 END BOND
+ -M V30 END CTAB
+ M V30 END PRODUCT
+ M END
+ output format: SMILES
+ ket_retro_arrow_and_simple_arrow.smi:FAILED
+ ---
+ +++
+ @@ -1 +1 @@
+ -OCO>>CC(N)C.C1CCCC1
+ +>>CC(N)C.C1CCCC1
+ output format: SMARTS
+ ket_retro_arrow_and_simple_arrow.smarts:FAILED
+ ---
+ +++
+ @@ -1 +1 @@
+ -[#8]-[#6]-[#8]>>[#6]1-[#6]-[#6]-[#6]-[#6]-1.[#6]-[#6](-[#7])-[#6]
+ +>>[#6]-[#6](-[#7])-[#6].[#6]1-[#6]-[#6]-[#6]-[#6]-1
+ output format: CML
+ ket_retro_arrow_and_simple_arrow.cml:FAILED
+ ---
+ +++
+ @@ -1,36 +1,5 @@
+ <?xml version="1.0" ?>
+ <cml>
+ <reaction>
+ -<reactantList>
+ -<molecule>
+ - <atomArray>
+ - <atom id="a0" elementType="O" x2="12.6749" y2="-5.87002"/>
+ - <atom id="a1" elementType="C" x2="13.5409" y2="-6.37002"/>
+ - <atom id="a2" elementType="O" x2="14.407" y2="-5.87002"/>
+ - </atomArray>
+ - <bondArray>
+ - <bond atomRefs2="a0 a1" order="1"/>
+ - <bond atomRefs2="a1 a2" order="1"/>
+ - </bondArray>
+ -</molecule>
+ -</reactantList>
+ -<productList>
+ -<molecule>
+ - <atomArray>
+ - <atom id="a0" elementType="C" x2="20.5624" y2="-5.20058"/>
+ - <atom id="a1" elementType="C" x2="21.3714" y2="-5.78838"/>
+ - <atom id="a2" elementType="C" x2="21.0624" y2="-6.73946"/>
+ - <atom id="a3" elementType="C" x2="20.0624" y2="-6.73946"/>
+ - <atom id="a4" elementType="C" x2="19.7535" y2="-5.78838"/>
+ - </atomArray>
+ - <bondArray>
+ - <bond atomRefs2="a0 a4" order="1"/>
+ - <bond atomRefs2="a4 a3" order="1"/>
+ - <bond atomRefs2="a3 a2" order="1"/>
+ - <bond atomRefs2="a2 a1" order="1"/>
+ - <bond atomRefs2="a1 a0" order="1"/>
+ - </bondArray>
+ -</molecule>
+ -</productList>
+ </reaction>
+ </cml>
- ket_two_retro_arrows_2000.rxn:SUCCEED
+ ket_two_retro_arrows_2000.rxn:FAILED
- output format: RXN 3000
+ ---
- ket_two_retro_arrows_3000.rxn:SUCCEED
- output format: SMILES
+ +++
- ket_two_retro_arrows.smi:SUCCEED
- output format: SMARTS
+ @@ -2,7 +2,7 @@
- ket_two_retro_arrows.smarts:SUCCEED
- output format: CML
+
- ket_two_retro_arrows.cml:SUCCEED
+ -INDIGO- 0100000000
+
+ - 1 2
+ + 1 1
+ $MOL
+
+ -INDIGO-01000000002D
+ @@ -32,14 +32,3 @@
+ 2 3 1 0 0 0 0
+ 2 4 1 0 0 0 0
+ M END
+ -$MOL
+ -
+ - -INDIGO-01000000002D
+ -
+ - 3 2 0 0 0 0 0 0 0 0999 V2000
+ - 12.2703 -9.3147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
+ - 13.1363 -9.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 14.0023 -9.3147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
+ - 1 2 1 0 0 0 0
+ - 2 3 1 0 0 0 0
+ -M END
+ output format: RXN 3000
+ ket_two_retro_arrows_3000.rxn:FAILED
+ ---
+ +++
+ @@ -2,7 +2,7 @@
+
+ -INDIGO- 0100000000
+
+ -M V30 COUNTS 1 2
+ +M V30 COUNTS 1 1
+ M V30 BEGIN REACTANT
+ M V30 BEGIN CTAB
+ M V30 COUNTS 5 5 0 0 0
+ @@ -37,17 +37,5 @@
+ M V30 3 1 2 4
+ M V30 END BOND
+ M V30 END CTAB
+ -M V30 BEGIN CTAB
+ -M V30 COUNTS 3 2 0 0 0
+ -M V30 BEGIN ATOM
+ -M V30 1 O 12.2703 -9.31472 0.0 0
+ -M V30 2 C 13.1363 -9.81472 0.0 0
+ -M V30 3 O 14.0023 -9.31472 0.0 0
+ -M V30 END ATOM
+ -M V30 BEGIN BOND
+ -M V30 1 1 1 2
+ -M V30 2 1 2 3
+ -M V30 END BOND
+ -M V30 END CTAB
+ M V30 END PRODUCT
+ M END
+ output format: SMILES
+ ket_two_retro_arrows.smi:FAILED
+ ---
+ +++
+ @@ -1 +1 @@
+ -C1CCCC1>>CC(N)C.OCO
+ +C1CCCC1>>CC(N)C
+ output format: SMARTS
+ ket_two_retro_arrows.smarts:FAILED
+ ---
+ +++
+ @@ -1 +1 @@
+ -[#6]1-[#6]-[#6]-[#6]-[#6]-1>>[#6]-[#6](-[#7])-[#6].[#8]-[#6]-[#8]
+ +[#6]1-[#6]-[#6]-[#6]-[#6]-1>>[#6]-[#6](-[#7])-[#6]
+ output format: CML
+ ket_two_retro_arrows.cml:FAILED
+ ---
+ +++
+ @@ -33,17 +33,6 @@
+ <bond atomRefs2="a1 a3" order="1"/>
+ </bondArray>
+ </molecule>
+ -<molecule>
+ - <atomArray>
+ - <atom id="a0" elementType="O" x2="12.2703" y2="-9.31472"/>
+ - <atom id="a1" elementType="C" x2="13.1363" y2="-9.81472"/>
+ - <atom id="a2" elementType="O" x2="14.0023" y2="-9.31472"/>
+ - </atomArray>
+ - <bondArray>
+ - <bond atomRefs2="a0 a1" order="1"/>
+ - <bond atomRefs2="a1 a2" order="1"/>
+ - </bondArray>
+ -</molecule>
+ </productList>
+ </reaction>
+ </cml>
- ket_simple_arrow_retro_arrow_sum_of_products_2000.rxn:SUCCEED
+ ket_simple_arrow_retro_arrow_sum_of_products_2000.rxn:FAILED
- output format: RXN 3000
+ ---
- ket_simple_arrow_retro_arrow_sum_of_products_3000.rxn:SUCCEED
- output format: SMILES
+ +++
- ket_simple_arrow_retro_arrow_sum_of_products.smi:SUCCEED
- output format: SMARTS
+ @@ -2,7 +2,31 @@
- ket_simple_arrow_retro_arrow_sum_of_products.smarts:SUCCEED
- output format: CML
+
- ket_simple_arrow_retro_arrow_sum_of_products.cml:SUCCEED
+ -INDIGO- 0100000000
+
+ - 3 1
+ + 1 3
+ +$MOL
+ +
+ + -INDIGO-01000000002D
+ +
+ + 4 3 0 0 0 0 0 0 0 0999 V2000
+ + 10.1817 -8.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 10.1817 -7.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 9.3157 -7.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 11.0478 -7.3140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
+ + 1 2 1 0 0 0 0
+ + 2 3 1 0 0 0 0
+ + 2 4 1 0 0 0 0
+ +M END
+ +$MOL
+ +
+ + -INDIGO-01000000002D
+ +
+ + 3 2 0 0 0 0 0 0 0 0999 V2000
+ + 14.9228 -7.8140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
+ + 15.7888 -8.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 16.6548 -7.8140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
+ + 1 2 1 0 0 0 0
+ + 2 3 1 0 0 0 0
+ +M END
+ $MOL
+
+ -INDIGO-01000000002D
+ @@ -35,27 +59,3 @@
+ 2 3 2 0 0 0 0
+ 3 1 1 0 0 0 0
+ M END
+ -$MOL
+ -
+ - -INDIGO-01000000002D
+ -
+ - 4 3 0 0 0 0 0 0 0 0999 V2000
+ - 10.1817 -8.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 10.1817 -7.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 9.3157 -7.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 11.0478 -7.3140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
+ - 1 2 1 0 0 0 0
+ - 2 3 1 0 0 0 0
+ - 2 4 1 0 0 0 0
+ -M END
+ -$MOL
+ -
+ - -INDIGO-01000000002D
+ -
+ - 3 2 0 0 0 0 0 0 0 0999 V2000
+ - 14.9228 -7.8140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
+ - 15.7888 -8.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 16.6548 -7.8140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
+ - 1 2 1 0 0 0 0
+ - 2 3 1 0 0 0 0
+ -M END
+ output format: RXN 3000
+ ket_simple_arrow_retro_arrow_sum_of_products_3000.rxn:FAILED
+ ---
+ +++
+ @@ -2,8 +2,36 @@
+
+ -INDIGO- 0100000000
+
+ -M V30 COUNTS 3 1
+ +M V30 COUNTS 1 3
+ M V30 BEGIN REACTANT
+ +M V30 BEGIN CTAB
+ +M V30 COUNTS 4 3 0 0 0
+ +M V30 BEGIN ATOM
+ +M V30 1 C 10.1817 -8.81398 0.0 0
+ +M V30 2 C 10.1817 -7.81398 0.0 0
+ +M V30 3 C 9.3157 -7.31398 0.0 0
+ +M V30 4 N 11.0478 -7.31398 0.0 0
+ +M V30 END ATOM
+ +M V30 BEGIN BOND
+ +M V30 1 1 1 2
+ +M V30 2 1 2 3
+ +M V30 3 1 2 4
+ +M V30 END BOND
+ +M V30 END CTAB
+ +M V30 END REACTANT
+ +M V30 BEGIN PRODUCT
+ +M V30 BEGIN CTAB
+ +M V30 COUNTS 3 2 0 0 0
+ +M V30 BEGIN ATOM
+ +M V30 1 O 14.9228 -7.81398 0.0 0
+ +M V30 2 C 15.7888 -8.31398 0.0 0
+ +M V30 3 O 16.6548 -7.81398 0.0 0
+ +M V30 END ATOM
+ +M V30 BEGIN BOND
+ +M V30 1 1 1 2
+ +M V30 2 1 2 3
+ +M V30 END BOND
+ +M V30 END CTAB
+ M V30 BEGIN CTAB
+ M V30 COUNTS 5 5 0 0 0
+ M V30 BEGIN ATOM
+ @@ -38,33 +66,5 @@
+ M V30 5 1 3 1
+ M V30 END BOND
+ M V30 END CTAB
+ -M V30 BEGIN CTAB
+ -M V30 COUNTS 4 3 0 0 0
+ -M V30 BEGIN ATOM
+ -M V30 1 C 10.1817 -8.81398 0.0 0
+ -M V30 2 C 10.1817 -7.81398 0.0 0
+ -M V30 3 C 9.3157 -7.31398 0.0 0
+ -M V30 4 N 11.0478 -7.31398 0.0 0
+ -M V30 END ATOM
+ -M V30 BEGIN BOND
+ -M V30 1 1 1 2
+ -M V30 2 1 2 3
+ -M V30 3 1 2 4
+ -M V30 END BOND
+ -M V30 END CTAB
+ -M V30 END REACTANT
+ -M V30 BEGIN PRODUCT
+ -M V30 BEGIN CTAB
+ -M V30 COUNTS 3 2 0 0 0
+ -M V30 BEGIN ATOM
+ -M V30 1 O 14.9228 -7.81398 0.0 0
+ -M V30 2 C 15.7888 -8.31398 0.0 0
+ -M V30 3 O 16.6548 -7.81398 0.0 0
+ -M V30 END ATOM
+ -M V30 BEGIN BOND
+ -M V30 1 1 1 2
+ -M V30 2 1 2 3
+ -M V30 END BOND
+ -M V30 END CTAB
+ M V30 END PRODUCT
+ M END
+ output format: SMILES
+ ket_simple_arrow_retro_arrow_sum_of_products.smi:FAILED
+ ---
+ +++
+ @@ -1 +1 @@
+ -C1CCCC1.C1C=CC=C1.CC(N)C>>OCO
+ +CC(N)C>>C1CCCC1.C1C=CC=C1.OCO
+ output format: SMARTS
+ ket_simple_arrow_retro_arrow_sum_of_products.smarts:FAILED
+ ---
+ +++
+ @@ -1 +1 @@
+ -[#6]1-[#6]-[#6]-[#6]-[#6]-1.[#6]1-[#6]=[#6]-[#6]=[#6]-1.[#6]-[#6](-[#7])-[#6]>>[#8]-[#6]-[#8]
+ +[#6]-[#6](-[#7])-[#6]>>[#8]-[#6]-[#8].[#6]1-[#6]-[#6]-[#6]-[#6]-1.[#6]1-[#6]=[#6]-[#6]=[#6]-1
+ output format: CML
+ ket_simple_arrow_retro_arrow_sum_of_products.cml:FAILED
+ ---
+ +++
+ @@ -2,42 +2,6 @@
+ <cml>
+ <reaction>
+ <reactantList>
+ -<molecule>
+ - <atomArray>
+ - <atom id="a0" elementType="C" x2="22.8103" y2="-7.14454"/>
+ - <atom id="a1" elementType="C" x2="23.6193" y2="-7.73233"/>
+ - <atom id="a2" elementType="C" x2="23.3103" y2="-8.68342"/>
+ - <atom id="a3" elementType="C" x2="22.3103" y2="-8.68342"/>
+ - <atom id="a4" elementType="C" x2="22.0013" y2="-7.73233"/>
+ - </atomArray>
+ - <bondArray>
+ - <bond atomRefs2="a0 a4" order="1"/>
+ - <bond atomRefs2="a4 a3" order="1"/>
+ - <bond atomRefs2="a3 a2" order="1"/>
+ - <bond atomRefs2="a2 a1" order="1"/>
+ - <bond atomRefs2="a1 a0" order="1"/>
+ - </bondArray>
+ -</molecule>
+ -<molecule>
+ - <atomArray>
+ - <atom id="a0" elementType="C" x2="26.2603" y2="-7.14393"/>
+ - <atom id="a1" elementType="C" x2="26.7607" y2="-8.68402"/>
+ - <atom id="a2" elementType="C" x2="27.0699" y2="-7.73779"/>
+ - <atom id="a3" elementType="C" x2="25.7599" y2="-8.68402"/>
+ - <atom id="a4" elementType="C" x2="25.4506" y2="-7.73779"/>
+ - </atomArray>
+ - <bondArray>
+ - <bond atomRefs2="a0 a4" order="1"/>
+ - <bond atomRefs2="a4 a3" order="2">
+ - <bondStereo atomRefs4="a0 a4 a3 a1">C</bondStereo>
+ - </bond>
+ - <bond atomRefs2="a3 a1" order="1"/>
+ - <bond atomRefs2="a1 a2" order="2">
+ - <bondStereo atomRefs4="a3 a1 a2 a0">C</bondStereo>
+ - </bond>
+ - <bond atomRefs2="a2 a0" order="1"/>
+ - </bondArray>
+ -</molecule>
+ <molecule>
+ <atomArray>
+ <atom id="a0" elementType="C" x2="10.1817" y2="-8.81398"/>
Check failure on line 1 in api/c/tests/unit/tests/formats.cpp
github-actions / ubuntu-latest-x86_64-dotnet_test_report
formats.ket_to_rdf
[FAILED]
Raw output
Diff:
- pathway1.rdf:SUCCEED
+ pathway1.rdf:FAILED
- pathway10.rdf:SUCCEED
+ ---
- pathway2.rdf:SUCCEED
- pathway3.rdf:SUCCEED
+ +++
+ @@ -7,23 +7,7 @@
+
+ -INDIGO- 0100000000
+
+ - 2 1
+ -$MOL
+ -
+ - -INDIGO-01000000002D
+ -
+ - 5 5 0 0 0 0 0 0 0 0999 V2000
+ - 0.9206 13.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 1.4210 12.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 1.7303 13.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 0.4203 12.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 0.1109 13.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 1 5 1 0 0 0 0
+ - 5 4 2 0 0 0 0
+ - 4 2 1 0 0 0 0
+ - 2 3 2 0 0 0 0
+ - 3 1 1 0 0 0 0
+ -M END
+ + 4 2
+ $MOL
+
+ -INDIGO-01000000002D
+ @@ -46,47 +30,37 @@
+
+ -INDIGO-01000000002D
+
+ - 7 7 0 0 0 0 0 0 0 0999 V2000
+ - 5.7891 11.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 5.7891 10.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 6.6551 9.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 7.5212 10.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 7.5212 11.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 6.6551 11.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 8.3872 11.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 6 1 1 0 0 0 0
+ - 1 2 1 0 0 0 0
+ - 2 3 1 0 0 0 0
+ - 3 4 1 0 0 0 0
+ - 4 5 1 0 0 0 0
+ - 5 6 1 0 0 0 0
+ - 5 7 1 0 0 0 0
+ + 5 5 0 0 0 0 0 0 0 0999 V2000
+ + 0.9206 13.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 1.4210 12.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 1.7303 13.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 0.4203 12.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 0.1109 13.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 1 5 1 0 0 0 0
+ + 5 4 2 0 0 0 0
+ + 4 2 1 0 0 0 0
+ + 2 3 2 0 0 0 0
+ + 3 1 1 0 0 0 0
+ M END
+ -$RFMT
+ -$RXN
+ -
+ - -INDIGO- 0100000000
+ -
+ - 3 1
+ $MOL
+
+ -INDIGO-01000000002D
+
+ 7 7 0 0 0 0 0 0 0 0999 V2000
+ - 5.7891 11.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 5.7891 10.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 6.6551 9.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 7.5212 10.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 7.5212 11.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 6.6551 11.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 8.3872 11.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 6 1 1 0 0 0 0
+ - 1 2 1 0 0 0 0
+ - 2 3 1 0 0 0 0
+ - 3 4 1 0 0 0 0
+ - 4 5 1 0 0 0 0
+ - 5 6 1 0 0 0 0
+ - 5 7 1 0 0 0 0
+ + 7.3872 1.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 7.8876 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 8.1968 0.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 6.8868 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 6.5775 0.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 7.3872 2.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 8.3872 2.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 1 5 1 0 0 0 0
+ + 5 4 2 0 0 0 0
+ + 4 2 1 0 0 0 0
+ + 2 3 2 0 0 0 0
+ + 3 1 1 0 0 0 0
+ + 1 6 2 0 0 0 0
+ + 6 7 1 0 0 0 0
+ M END
+ $MOL
+
+ @@ -114,26 +88,6 @@
+
+ -INDIGO-01000000002D
+
+ - 7 7 0 0 0 0 0 0 0 0999 V2000
+ - 7.3872 1.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 7.8876 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 8.1968 0.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 6.8868 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 6.5775 0.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 7.3872 2.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 8.3872 2.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 1 5 1 0 0 0 0
+ - 5 4 2 0 0 0 0
+ - 4 2 1 0 0 0 0
+ - 2 3 2 0 0 0 0
+ - 3 1 1 0 0 0 0
+ - 1 6 2 0 0 0 0
+ - 6 7 1 0 0 0 0
+ -M END
+ -$MOL
+ -
+ - -INDIGO-01000000002D
+ -
+ 9 9 0 0 0 0 0 0 0 0999 V2000
+ 12.7532 6.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 14.4835 6.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ @@ -154,3 +108,23 @@
+ 6 8 2 0 0 0 0
+ 4 9 1 0 0 0 0
+ M END
+ +$MOL
+ +
+ + -INDIGO-01000000002D
+ +
+ + 7 7 0 0 0 0 0 0 0 0999 V2000
+ + 5.7891 11.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 5.7891 10.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 6.6551 9.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 7.5212 10.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 7.5212 11.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 6.6551 11.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 8.3872 11.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 6 1 1 0 0 0 0
+ + 1 2 1 0 0 0 0
+ + 2 3 1 0 0 0 0
+ + 3 4 1 0 0 0 0
+ + 4 5 1 0 0 0 0
+ + 5 6 1 0 0 0 0
+ + 5 7 1 0 0 0 0
+ +M END
+ pathway10.rdf:FAILED
+ ---
+ +++
+ @@ -124,24 +124,6 @@
+
+ -INDIGO-01000000002D
+
+ - 6 6 0 0 0 0 0 0 0 0999 V2000
+ - 6.0401 3.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 6.5405 1.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 6.8497 2.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 5.5397 1.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 5.2303 2.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 6.0401 4.2629 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
+ - 1 5 1 0 0 0 0
+ - 5 4 2 0 0 0 0
+ - 4 2 1 0 0 0 0
+ - 2 3 2 0 0 0 0
+ - 3 1 1 0 0 0 0
+ - 1 6 1 0 0 0 0
+ -M END
+ -$MOL
+ -
+ - -INDIGO-01000000002D
+ -
+ 5 5 0 0 0 0 0 0 0 0999 V2000
+ 7.8745 10.4722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 7.8708 11.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ @@ -184,3 +166,21 @@
+ 9 3 1 6 0 0 0
+ 10 4 1 6 0 0 0
+ M END
+ +$MOL
+ +
+ + -INDIGO-01000000002D
+ +
+ + 6 6 0 0 0 0 0 0 0 0999 V2000
+ + 6.0401 3.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 6.5405 1.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 6.8497 2.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 5.5397 1.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 5.2303 2.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 6.0401 4.2629 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
+ + 1 5 1 0 0 0 0
+ + 5 4 2 0 0 0 0
+ + 4 2 1 0 0 0 0
+ + 2 3 2 0 0 0 0
+ + 3 1 1 0 0 0 0
+ + 1 6 1 0 0 0 0
+ +M END
+ pathway2.rdf:FAILED
+ ---
+ +++
+ @@ -7,23 +7,7 @@
+
+ -INDIGO- 0100000000
+
+ - 2 1
+ -$MOL
+ -
+ - -INDIGO-01000000002D
+ -
+ - 5 5 0 0 0 0 0 0 0 0999 V2000
+ - 0.9206 8.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 1.4210 7.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 1.7303 8.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 0.4203 7.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 0.1109 8.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 1 5 1 0 0 0 0
+ - 5 4 2 0 0 0 0
+ - 4 2 1 0 0 0 0
+ - 2 3 2 0 0 0 0
+ - 3 1 1 0 0 0 0
+ -M END
+ + 3 2
+ $MOL
+
+ -INDIGO-01000000002D
+ @@ -46,47 +30,17 @@
+
+ -INDIGO-01000000002D
+
+ - 7 7 0 0 0 0 0 0 0 0999 V2000
+ - 5.2303 6.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 5.2303 5.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 6.0963 5.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 6.9624 5.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 6.9624 6.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 6.0963 7.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 7.8284 7.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 6 1 1 0 0 0 0
+ - 1 2 1 0 0 0 0
+ - 2 3 1 0 0 0 0
+ - 3 4 1 0 0 0 0
+ - 4 5 1 0 0 0 0
+ - 5 6 1 0 0 0 0
+ - 5 7 1 0 0 0 0
+ -M END
+ -$RFMT
+ -$RXN
+ -
+ - -INDIGO- 0100000000
+ -
+ - 2 1
+ -$MOL
+ -
+ - -INDIGO-01000000002D
+ -
+ - 7 7 0 0 0 0 0 0 0 0999 V2000
+ - 5.2303 6.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 5.2303 5.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 6.0963 5.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 6.9624 5.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 6.9624 6.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 6.0963 7.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 7.8284 7.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 6 1 1 0 0 0 0
+ - 1 2 1 0 0 0 0
+ - 2 3 1 0 0 0 0
+ - 3 4 1 0 0 0 0
+ - 4 5 1 0 0 0 0
+ - 5 6 1 0 0 0 0
+ - 5 7 1 0 0 0 0
+ + 5 5 0 0 0 0 0 0 0 0999 V2000
+ + 0.9206 8.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 1.4210 7.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 1.7303 8.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 0.4203 7.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 0.1109 8.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 1 5 1 0 0 0 0
+ + 5 4 2 0 0 0 0
+ + 4 2 1 0 0 0 0
+ + 2 3 2 0 0 0 0
+ + 3 1 1 0 0 0 0
+ M END
+ $MOL
+
+ @@ -132,3 +86,23 @@
+ 6 8 2 0 0 0 0
+ 4 9 1 0 0 0 0
+ M END
+ +$MOL
+ +
+ + -INDIGO-01000000002D
+ +
+ + 7 7 0 0 0 0 0 0 0 0999 V2000
+ + 5.2303 6.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 5.2303 5.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 6.0963 5.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 6.9624 5.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 6.9624 6.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 6.0963 7.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 7.8284 7.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 6 1 1 0 0 0 0
+ + 1 2 1 0 0 0 0
+ + 2 3 1 0 0 0 0
+ + 3 4 1 0 0 0 0
+ + 4 5 1 0 0 0 0
+ + 5 6 1 0 0 0 0
+ + 5 7 1 0 0 0 0
+ +M END
+ pathway3.rdf:FAILED
+ ---
+ +++
+ @@ -7,23 +7,7 @@
+
+ -INDIGO- 0100000000
+
+ - 2 1
+ -$MOL
+ -
+ - -INDIGO-01000000002D
+ -
+ - 5 5 0 0 0 0 0 0 0 0999 V2000
+ - 0.9206 6.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 1.4210 4.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 1.7303 5.4464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 0.4203 4.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 0.1109 5.4464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 1 5 1 0 0 0 0
+ - 5 4 2 0 0 0 0
+ - 4 2 1 0 0 0 0
+ - 2 3 2 0 0 0 0
+ - 3 1 1 0 0 0 0
+ -M END
+ + 2 2
+ $MOL
+
+ -INDIGO-01000000002D
+ @@ -46,47 +30,17 @@
+
+ -INDIGO-01000000002D
+
+ - 7 7 0 0 0 0 0 0 0 0999 V2000
+ - 5.2303 3.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 5.2303 2.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 6.0963 2.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 6.9624 2.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 6.9624 3.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 6.0963 4.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 7.8284 4.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 6 1 1 0 0 0 0
+ - 1 2 1 0 0 0 0
+ - 2 3 1 0 0 0 0
+ - 3 4 1 0 0 0 0
+ - 4 5 1 0 0 0 0
+ - 5 6 1 0 0 0 0
+ - 5 7 1 0 0 0 0
+ -M END
+ -$RFMT
+ -$RXN
+ -
+ - -INDIGO- 0100000000
+ -
+ - 1 1
+ -$MOL
+ -
+ - -INDIGO-01000000002D
+ -
+ - 7 7 0 0 0 0 0 0 0 0999 V2000
+ - 5.2303 3.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 5.2303 2.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 6.0963 2.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 6.9624 2.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 6.9624 3.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 6.0963 4.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 7.8284 4.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 6 1 1 0 0 0 0
+ - 1 2 1 0 0 0 0
+ - 2 3 1 0 0 0 0
+ - 3 4 1 0 0 0 0
+ - 4 5 1 0 0 0 0
+ - 5 6 1 0 0 0 0
+ - 5 7 1 0 0 0 0
+ + 5 5 0 0 0 0 0 0 0 0999 V2000
+ + 0.9206 6.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 1.4210 4.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 1.7303 5.4464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 0.4203 4.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 0.1109 5.4464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 1 5 1 0 0 0 0
+ + 5 4 2 0 0 0 0
+ + 4 2 1 0 0 0 0
+ + 2 3 2 0 0 0 0
+ + 3 1 1 0 0 0 0
+ M END
+ $MOL
+
+ @@ -112,3 +66,23 @@
+ 6 8 2 0 0 0 0
+ 4 9 1 0 0 0 0
+ M END
+ +$MOL
+ +
+ + -INDIGO-01000000002D
+ +
+ + 7 7 0 0 0 0 0 0 0 0999 V2000
+ + 5.2303 3.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 5.2303 2.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 6.0963 2.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 6.9624 2.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 6.9624 3.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 6.0963 4.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 7.8284 4.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 6 1 1 0 0 0 0
+ + 1 2 1 0 0 0 0
+ + 2 3 1 0 0 0 0
+ + 3 4 1 0 0 0 0
+ + 4 5 1 0 0 0 0
+ + 5 6 1 0 0 0 0
+ + 5 7 1 0 0 0 0
+ +M END
- pathway6.rdf:SUCCEED
+ pathway6.rdf:FAILED
- pathway7.rdf:SUCCEED
+ ---
- pathway8.rdf:SUCCEED
- pathway9.rdf:SUCCEED
+ +++
+ @@ -7,23 +7,7 @@
+
+ -INDIGO- 0100000000
+
+ - 2 1
+ -$MOL
+ -
+ - -INDIGO-01000000002D
+ -
+ - 5 5 0 0 0 0 0 0 0 0999 V2000
+ - 0.9206 13.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 1.4210 12.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 1.7303 13.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 0.4203 12.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 0.1109 13.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 1 5 1 0 0 0 0
+ - 5 4 2 0 0 0 0
+ - 4 2 1 0 0 0 0
+ - 2 3 2 0 0 0 0
+ - 3 1 1 0 0 0 0
+ -M END
+ + 5 5
+ $MOL
+
+ -INDIGO-01000000002D
+ @@ -46,81 +30,37 @@
+
+ -INDIGO-01000000002D
+
+ + 5 5 0 0 0 0 0 0 0 0999 V2000
+ + 0.9206 13.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 1.4210 12.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 1.7303 13.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 0.4203 12.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 0.1109 13.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 1 5 1 0 0 0 0
+ + 5 4 2 0 0 0 0
+ + 4 2 1 0 0 0 0
+ + 2 3 2 0 0 0 0
+ + 3 1 1 0 0 0 0
+ +M END
+ +$MOL
+ +
+ + -INDIGO-01000000002D
+ +
+ 7 7 0 0 0 0 0 0 0 0999 V2000
+ - 5.7891 11.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 5.7891 10.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 6.6551 9.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 7.5212 10.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 7.5212 11.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 6.6551 11.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 8.3872 11.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 6 1 1 0 0 0 0
+ - 1 2 1 0 0 0 0
+ - 2 3 1 0 0 0 0
+ - 3 4 1 0 0 0 0
+ - 4 5 1 0 0 0 0
+ - 5 6 1 0 0 0 0
+ - 5 7 1 0 0 0 0
+ -M END
+ -$RFMT
+ -$RXN
+ -
+ - -INDIGO- 0100000000
+ -
+ - 1 1
+ -$MOL
+ -
+ - -INDIGO-01000000002D
+ -
+ - 3 3 0 0 0 0 0 0 0 0999 V2000
+ - 0.7291 16.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 1.7303 16.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 1.2297 17.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 1 2 1 0 0 0 0
+ - 2 3 1 0 0 0 0
+ + 7.3872 1.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 7.8876 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 8.1968 0.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 6.8868 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 6.5775 0.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 7.3872 2.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 8.3872 2.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 1 5 1 0 0 0 0
+ + 5 4 2 0 0 0 0
+ + 4 2 1 0 0 0 0
+ + 2 3 2 0 0 0 0
+ 3 1 1 0 0 0 0
+ -M END
+ -$MOL
+ -
+ - -INDIGO-01000000002D
+ -
+ - 5 5 0 0 0 0 0 0 0 0999 V2000
+ - 7.5782 17.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 8.3872 16.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 8.0782 15.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 7.0782 15.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 6.7692 16.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 1 5 1 0 0 0 0
+ - 5 4 1 0 0 0 0
+ - 4 3 1 0 0 0 0
+ - 3 2 1 0 0 0 0
+ - 2 1 1 0 0 0 0
+ -M END
+ -$RFMT
+ -$RXN
+ -
+ - -INDIGO- 0100000000
+ -
+ - 3 1
+ -$MOL
+ -
+ - -INDIGO-01000000002D
+ -
+ - 7 7 0 0 0 0 0 0 0 0999 V2000
+ - 5.7891 11.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 5.7891 10.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 6.6551 9.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 7.5212 10.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 7.5212 11.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 6.6551 11.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 8.3872 11.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 6 1 1 0 0 0 0
+ - 1 2 1 0 0 0 0
+ - 2 3 1 0 0 0 0
+ - 3 4 1 0 0 0 0
+ - 4 5 1 0 0 0 0
+ - 5 6 1 0 0 0 0
+ - 5 7 1 0 0 0 0
+ + 1 6 2 0 0 0 0
+ + 6 7 1 0 0 0 0
+ M END
+ $MOL
+
+ @@ -148,141 +88,13 @@
+
+ -INDIGO-01000000002D
+
+ - 7 7 0 0 0 0 0 0 0 0999 V2000
+ - 7.3872 1.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 7.8876 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 8.1968 0.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 6.8868 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 6.5775 0.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 7.3872 2.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 8.3872 2.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 1 5 1 0 0 0 0
+ - 5 4 2 0 0 0 0
+ - 4 2 1 0 0 0 0
+ - 2 3 2 0 0 0 0
+ + 3 3 0 0 0 0 0 0 0 0999 V2000
+ + 0.7291 16.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 1.7303 16.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 1.2297 17.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ + 1 2 1 0 0 0 0
+ + 2 3 1 0 0 0 0
+ 3 1 1 0 0 0 0
+ - 1 6 2 0 0 0 0
+ - 6 7 1 0 0 0 0
+ -M END
+ -$MOL
+ -
+ - -INDIGO-01000000002D
+ -
+ - 9 9 0 0 0 0 0 0 0 0999 V2000
+ - 12.7532 6.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 14.4835 6.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 13.6200 7.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 14.4835 5.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 12.7532 5.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 13.6222 5.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 11.8872 5.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 12.9151 4.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 15.1906 5.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 3 1 2 0 0 0 0
+ - 1 5 1 0 0 0 0
+ - 5 6 2 0 0 0 0
+ - 6 4 1 0 0 0 0
+ - 4 2 2 0 0 0 0
+ - 2 3 1 0 0 0 0
+ - 5 7 1 0 0 0 0
+ - 6 8 2 0 0 0 0
+ - 4 9 1 0 0 0 0
+ -M END
+ -$RFMT
+ -$RXN
+ -
+ - -INDIGO- 0100000000
+ -
+ - 1 1
+ -$MOL
+ -
+ - -INDIGO-01000000002D
+ -
+ - 5 5 0 0 0 0 0 0 0 0999 V2000
+ - 7.5782 17.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 8.3872 16.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 8.0782 15.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 7.0782 15.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 6.7692 16.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 1 5 1 0 0 0 0
+ - 5 4 1 0 0 0 0
+ - 4 3 1 0 0 0 0
+ - 3 2 1 0 0 0 0
+ - 2 1 1 0 0 0 0
+ -M END
+ -$MOL
+ -
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+ M END
+ $MOL
+
+ @@ -323,3 +135,85 @@
+ 11 10 1 0 0 0 0
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+ M END
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+ +M END
+ pathway7.rdf:FAILED
+ ---
+ +++
+ @@ -7,7 +7,61 @@
+
+ -INDIGO- 0100000000
+
+ - 1 1
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+ +M END
+ $MOL
+
+ -INDIGO-01000000002D
+ @@ -160,65 +214,27 @@
+ 2 3 1 0 0 0 0
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+ M END
+ -$RFMT
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+ - -INDIGO- 0100000000
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+ -$MOL
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+ -M END
+ -$MOL
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+ M END
+ $MOL
+
+ @@ -358,181 +374,3 @@
+ 52 59 1 0 0 0 0
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+ M END
+ -$RFMT
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+ -M END
+ -$MOL
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+ -M END
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+ - 3 2 1 0 0 0 0
+ -M END
+ pathway8.rdf:FAILED
+ ---
+ +++
+ @@ -7,7 +7,41 @@
+
+ -INDIGO- 0100000000
+
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+ - 5.5908 28.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 20.1638 24.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 18.6139 24.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 19.4151 24.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 18.5616 23.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 20.1116 23.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 19.3104 22.8960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 17.4630 25.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 19.0130 25.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 18.2117 25.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 19.0652 26.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 17.5153 26.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 18.3164 26.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 16.3643 27.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 17.9143 27.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 17.1131 27.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 17.9665 28.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 16.4166 28.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 17.2178 29.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 9.3323 28.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 10.6909 29.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 9.7947 29.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 11.1248 28.6907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 9.7664 27.9390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 10.6626 27.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 13.5934 28.9129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 14.0176 27.5258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 14.3093 28.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 13.1213 27.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 12.8591 28.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ - 3 1 2 0 0 0 0
+ - 1 5 1 0 0 0 0
+ - 5 6 2 0 0 0 0
+ - 6 4 1 0 0 0 0
+ - 4 2 2 0 0 0 0
+ - 2 3 1 0 0 0 0
+ - 9 7 2 0 0 0 0
+ - 7 11 1 0 0 0 0
+ - 11 12 2 0 0 0 0
+ - 12 10 1 0 0 0 0
+ - 10 8 2 0 0 0 0
+ - 8 9 1 0 0 0 0
+ - 6 9 1 0 0 0 0
+ - 15 13 2 0 0 0 0
+ - 13 17 1 0 0 0 0
+ - 17 18 2 0 0 0 0
+ - 18 16 1 0 0 0 0
+ - 16 14 2 0 0 0 0
+ - 14 15 1 0 0 0 0
+ - 14 3 1 0 0 0 0
+ - 21 19 2 0 0 0 0
+ - 19 23 1 0 0 0 0
+ - 23 24 2 0 0 0 0
+ - 24 22 1 0 0 0 0
+ - 22 20 2 0 0 0 0
+ - 20 21 1 0 0 0 0
+ - 19 13 1 0 0 0 0
+ - 21 15 1 0 0 0 0
+ - 27 25 2 0 0 0 0
+ - 25 29 1 0 0 0 0
+ - 29 30 2 0 0 0 0
+ - 30 28 1 0 0 0 0
+ - 28 26 2 0 0 0 0
+ - 26 27 1 0 0 0 0
+ - 22 27 1 0 0 0 0
+ - 24 26 1 0 0 0 0
+ - 33 31 2 0 0 0 0
+ - 31 35 1 0 0 0 0
+ - 35 36 2 0 0 0 0
+ - 36 34 1 0 0 0 0
+ - 34 32 2 0 0 0 0
+ - 32 33 1 0 0 0 0
+ - 12 34 1 0 0 0 0
+ - 39 37 2 0 0 0 0
+ - 37 41 1 0 0 0 0
+ - 41 42 2 0 0 0 0
+ - 42 40 1 0 0 0 0
+ - 40 38 2 0 0 0 0
+ - 38 39 1 0 0 0 0
+ - 45 43 2 0 0 0 0
+ - 43 47 1 0 0 0 0
+ - 47 48 2 0 0 0 0
+ - 48 46 1 0 0 0
Check failure on line 1 in api/c/tests/unit/tests/formats.cpp
github-actions / ubuntu-latest-x86_64-dotnet_test_report
formats.retrosynthetic_arrow_to_cdx
[FAILED]
Raw output
Diff:
- ket_retro_arrow_and_simple_arrow.b64cdx:SUCCEED
+ ket_retro_arrow_and_simple_arrow.b64cdx:FAILED
+ ---
+ +++
+ @@ -1 +1 @@
+ -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
+ 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
- ket_two_retro_arrows.b64cdx:SUCCEED
+ ket_two_retro_arrows.b64cdx:FAILED
+ ---
+ +++
+ @@ -1 +1 @@
+ -VmpDRDAxMDAEAwIBAAAAAAAAAAAAAAAAAAAAAAUIBAAAAB4AGggCAAMAGwgCAAQAAAEkAAAAAgACAOn9BQBBcmlhbAMA6f0PAFRpbWVzIE5ldyBSb21hbgADMgAIAP///////wAAAAAAAP//AAAAAP////8AAAAA//8AAAAA/////wAAAAD/////AAD//wGAAAAAABAIAgABAA8IAgABAAOABAAAAASABQAAAAACCAAMcTUBoODhAAAABIAGAAAAAAIIAA5xFwGg4OEAAAAEgAcAAAAAAggAEHEIAZLlxwAAAASACAAAAAIEAgAHACsEAgACAAACCAAQcQgBtdv7AAaAAAAAAAACCAAQcQgBtdv7ACMIAQAAAAcZAAIAAAADAGAAyAAAAAIAAwAgAMgAAABOSDIAAAAABYAZAAAABAYEAAUAAAAFBgQABgAAAAAABYAaAAAABAYEAAYAAAAFBgQABwAAAAAABYAbAAAABAYEAAYAAAAFBgQACAAAAAAAAAADgAkAAAAEgAoAAAACBAIACAArBAIAAQAAAggADnEXAcAbcAEGgAAAAAAAAggADnEXAcAbcAEjCAEAAAAHDgABAAAAAwBgAMgAAABPSAAAAAAEgAsAAAAAAggADHEmAZ4WigEAAASADAAAAAIEAgAIACsEAgABAAACCAAOcRcB9BGkAQaAAAAAAAACCAAOcRcB9BGkASMIAQAAAAcOAAEAAAADAGAAyAAAAE9IAAAAAAWAHAAAAAQGBAAKAAAABQYEAAsAAAAAAAWAHQAAAAQGBAALAAAABQYEAAwAAAAAAAAAA4ANAAAABIAOAAAAAAIIAMJbAwHMu1wCAAAEgA8AAAAAAggAAP4UAdQAdQIAAASAEAAAAAACCABchjEBvLtrAgAABIARAAAAAAIIAFyGMQHYu00CAAAEgBIAAAAAAggAAP4UAcB2RAIAAAWAHgAAAAQGBAAOAAAABQYEABIAAAAAAAWAHwAAAAQGBAASAAAABQYEABEAAAAAAAWAIAAAAAQGBAARAAAABQYEABAAAAAAAAWAIQAAAAQGBAAQAAAABQYEAA8AAAAAAAWAIgAAAAQGBAAPAAAABQYEAA4AAAAAAAAAIYATAAAABAIQAA7xFQEyckYBDvEVARRoHAE3CgIAAAA1CgIAAgAvCgIAAwAgCgIAWAIwCgIAWAIxCgIAlgAzCgIAWAIHAgwAMvJFAQ7xFQEAAAAACAIMABToHAEO8RUBAAAAAAAAB4AjAAAAEwAEABMAAAAACgIAAQACCgIAIAAgCgIAWAIEAhAADvEVATLyRQEO8RUBFOgcAQAAIYAWAAAABAIQALaFGAGYbw8CtoUYASRz5gE3CgIAAAA1CgIAAgAvCgIAAwAgCgIAWAIwCgIAWAIxCgIAlgAzCgIAWAIHAgwAmO8OAraFGAEAAAAACAIMACTz5gG2hRgBAAAAAAAAB4AkAAAAEwAEABYAAAAACgIAAQACCgIAIAAgCgIAWAIEAhAAtoUYAZjvDgK2hRgBJPPmAQAADYAAAAAADoAAAAAAAQwEAA0AAAACDAQABAAAAAQMBAAjAAAAAAAOgAAAAAABDAQADQAAAAIMBAAJAAAABAwEACQAAAAAAAAAAAAAAAAA
+ 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
- ket_simple_arrow_retro_arrow_sum_of_products.b64cdx:SUCCEED
+ ket_simple_arrow_retro_arrow_sum_of_products.b64cdx:FAILED
+ ---
+ +++
+ @@ -1 +1 @@
+ -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
+ 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
Check failure on line 1 in api/c/tests/unit/tests/formats.cpp
github-actions / ubuntu-latest-x86_64-dotnet_test_report
formats.retrosynthetic_arrow_to_cdxml
[FAILED]
Raw output
Diff:
- ket_retro_arrow_and_simple_arrow.cdxml:SUCCEED
+ ket_retro_arrow_and_simple_arrow.cdxml:FAILED
+ ---
+ +++
+ @@ -63,7 +63,7 @@
+ <arrow id="22" BoundingBox="548.343567 174.181381 494.575592 174.181381" FillType="None" ArrowheadType="Solid" HeadSize="2250" ArrowheadWidth="563" ArrowheadHead="Full" ArrowheadCenterSize="25" Head3D="548.343567 174.181381 0.000000" Tail3D="494.575592 174.181381 0.000000"/>
+ <scheme>
+ <step ReactionStepReactants="4" ReactionStepProducts="13" ReactionStepArrows="35"/>
+ - <step ReactionStepReactants="9" ReactionStepProducts="4" ReactionStepArrows="22"/>
+ + <step ReactionStepReactants="13" ReactionStepProducts="4" ReactionStepArrows="22"/>
+ </scheme>
+ </page>
+ </CDXML>
- ket_two_retro_arrows.cdxml:SUCCEED
+ ket_two_retro_arrows.cdxml:FAILED
+ ---
+ +++
+ @@ -64,7 +64,7 @@
+ <graphic id="36" SupersededBy="22" GraphicType="Line" ArrowType="RetroSynthetic" HeadSize="600" BoundingBox="526.935913 280.522308 486.949768 280.522308"/>
+ <scheme>
+ <step ReactionStepReactants="13" ReactionStepProducts="4" ReactionStepArrows="35"/>
+ - <step ReactionStepReactants="13" ReactionStepProducts="9" ReactionStepArrows="36"/>
+ + <step ReactionStepReactants="13" ReactionStepProducts="4" ReactionStepArrows="36"/>
+ </scheme>
+ </page>
+ </CDXML>
- ket_simple_arrow_retro_arrow_sum_of_products.cdxml:SUCCEED
+ ket_simple_arrow_retro_arrow_sum_of_products.cdxml:FAILED
+ ---
+ +++
+ @@ -76,7 +76,7 @@
+ <graphic id="31" BoundingBox="737.557800 249.419342 737.557800 241.919342" GraphicType="Symbol" SymbolType="Plus"/>
+ <scheme>
+ <step ReactionStepReactants="4 10" ReactionStepProducts="21" ReactionStepArrows="25"/>
+ - <step ReactionStepReactants="16" ReactionStepProducts="21" ReactionStepArrows="49"/>
+ + <step ReactionStepReactants="16" ReactionStepProducts="4 10" ReactionStepArrows="49"/>
+ </scheme>
+ </page>
+ </CDXML>
Loading