{"action":"created","issue":{"url":"https://api.github.com/repos/cdk/cdk/issues/452","repository_url":"https://api.github.com/repos/cdk/cdk","labels_url":"https://api.github.com/repos/cdk/cdk/issues/452/labels{/name}","comments_url":"https://api.github.com/repos/cdk/cdk/issues/452/comments","events_url":"https://api.github.com/repos/cdk/cdk/issues/452/events","html_url":"https://github.com/cdk/cdk/issues/452","id":324336429,"number":452,"title":"local regression for formula","user":{"login":"egonw","id":26721,"avatar_url":"https://avatars2.githubusercontent.com/u/26721?v=4","gravatar_id":"","url":"https://api.github.com/users/egonw","html_url":"https://github.com/egonw","followers_url":"https://api.github.com/users/egonw/followers","following_url":"https://api.github.com/users/egonw/following{/other_user}","gists_url":"https://api.github.com/users/egonw/gists{/gist_id}","starred_url":"https://api.github.com/users/egonw/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/egonw/subscriptions","organizations_url":"https://api.github.com/users/egonw/orgs","repos_url":"https://api.github.com/users/egonw/repos","events_url":"https://api.github.com/users/egonw/events{/privacy}","received_events_url":"https://api.github.com/users/egonw/received_events","type":"User","site_admin":false},"labels":[],"state":"open","locked":false,"assignee":null,"assignees":[],"milestone":null,"comments":0,"created_at":"2018-05-18T09:29:47Z","updated_at":"2018-05-18T09:54:27Z","closed_at":null,"author_association":"MEMBER","body":"I get this local error with the latest version when running the tests locally with \"mvn test\":\r\n\r\n```\r\n[INFO] Running org.openscience.cdk.tools.manipulator.MolecularFormulaManipulatorTest\r\n[ERROR] Tests run: 85, Failures: 1, Errors: 0, Skipped: 0, Time elapsed: 0.421 s <<< FAILURE! - in org.openscience.cdk.tools.manipulator.MolecularFormulaManipulatorTest\r\n[ERROR] testMassNumberDisplay(org.openscience.cdk.tools.manipulator.MolecularFormulaManipulatorTest)  Time elapsed: 0.007 s  <<< FAILURE!\r\njava.lang.AssertionError: \r\n\r\nExpected: is \"C7H3[81Br]BrO3\"\r\n     but: was \"C7H3Br[81Br]O3\"\r\n        at org.openscience.cdk.tools.manipulator.MolecularFormulaManipulatorTest.testMassNumberDisplay(MolecularFormulaManipulatorTest.java:1339)\r\n```"},"comment":{"url":"https://api.github.com/repos/cdk/cdk/issues/comments/390157448","html_url":"https://github.com/cdk/cdk/issues/452#issuecomment-390157448","issue_url":"https://api.github.com/repos/cdk/cdk/issues/452","id":390157448,"user":{"login":"johnmay","id":983232,"avatar_url":"https://avatars1.githubusercontent.com/u/983232?v=4","gravatar_id":"","url":"https://api.github.com/users/johnmay","html_url":"https://github.com/johnmay","followers_url":"https://api.github.com/users/johnmay/followers","following_url":"https://api.github.com/users/johnmay/following{/other_user}","gists_url":"https://api.github.com/users/johnmay/gists{/gist_id}","starred_url":"https://api.github.com/users/johnmay/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/johnmay/subscriptions","organizations_url":"https://api.github.com/users/johnmay/orgs","repos_url":"https://api.github.com/users/johnmay/repos","events_url":"https://api.github.com/users/johnmay/events{/privacy}","received_events_url":"https://api.github.com/users/johnmay/received_events","type":"User","site_admin":false},"created_at":"2018-05-18T09:54:27Z","updated_at":"2018-05-18T09:54:27Z","author_association":"MEMBER","body":"Hmm...\r\n\r\n```\r\nharbinger:formula john$ mvn test -o\r\n[INFO] Scanning for projects...\r\n[INFO] \r\n[INFO] ------------------< org.openscience.cdk:cdk-formula >-------------------\r\n[INFO] Building cdk-formula 2.2-SNAPSHOT\r\n[INFO] --------------------------------[ jar ]---------------------------------\r\n[INFO] \r\n[INFO] --- maven-resources-plugin:2.6:resources (default-resources) @ cdk-formula ---\r\n[INFO] Using 'UTF-8' encoding to copy filtered resources.\r\n[INFO] skip non existing resourceDirectory /Users/john/GitHub/cdk/tool/formula/src/main/resources\r\n[INFO] \r\n[INFO] --- maven-compiler-plugin:2.3.2:compile (default-compile) @ cdk-formula ---\r\n[INFO] Nothing to compile - all classes are up to date\r\n[INFO] \r\n[INFO] --- maven-resources-plugin:2.6:testResources (default-testResources) @ cdk-formula ---\r\n[INFO] Using 'UTF-8' encoding to copy filtered resources.\r\n[INFO] skip non existing resourceDirectory /Users/john/GitHub/cdk/tool/formula/src/test/resources\r\n[INFO] \r\n[INFO] --- maven-compiler-plugin:2.3.2:testCompile (default-testCompile) @ cdk-formula ---\r\n[INFO] Nothing to compile - all classes are up to date\r\n[INFO] \r\n[INFO] --- maven-surefire-plugin:2.20:test (default-test) @ cdk-formula ---\r\n[INFO] \r\n[INFO] -------------------------------------------------------\r\n[INFO]  T E S T S\r\n[INFO] -------------------------------------------------------\r\n[INFO] Using the new AtomContainer implementation.\r\n[INFO] Running org.openscience.cdk.tools.manipulator.MolecularFormulaManipulatorTest\r\n[INFO] Tests run: 85, Failures: 0, Errors: 0, Skipped: 0, Time elapsed: 0.343 s - in org.openscience.cdk.tools.manipulator.MolecularFormulaManipulatorTest\r\n[INFO] Running org.openscience.cdk.tools.manipulator.MolecularFormulaSetManipulatorTest\r\n[INFO] Tests run: 9, Failures: 0, Errors: 0, Skipped: 0, Time elapsed: 0.001 s - in org.openscience.cdk.tools.manipulator.MolecularFormulaSetManipulatorTest\r\n[INFO] Running org.openscience.cdk.tools.manipulator.MolecularFormulaRangeManipulatorTest\r\n[INFO] Tests run: 4, Failures: 0, Errors: 0, Skipped: 0, Time elapsed: 0.001 s - in org.openscience.cdk.tools.manipulator.MolecularFormulaRangeManipulatorTest\r\n[INFO] Running org.openscience.cdk.formula.IsotopePatternTest\r\n[INFO] Tests run: 11, Failures: 0, Errors: 0, Skipped: 0, Time elapsed: 0.001 s - in org.openscience.cdk.formula.IsotopePatternTest\r\n[INFO] Running org.openscience.cdk.formula.MolecularFormulaGeneratorTest\r\n[INFO] Tests run: 26, Failures: 0, Errors: 0, Skipped: 0, Time elapsed: 0.156 s - in org.openscience.cdk.formula.MolecularFormulaGeneratorTest\r\n[INFO] Running org.openscience.cdk.formula.IsotopeContainerTest\r\n[INFO] Tests run: 11, Failures: 0, Errors: 0, Skipped: 0, Time elapsed: 0.007 s - in org.openscience.cdk.formula.IsotopeContainerTest\r\n[INFO] Running org.openscience.cdk.formula.IsotopePatternGeneratorTest\r\n[INFO] Tests run: 15, Failures: 0, Errors: 0, Skipped: 0, Time elapsed: 0.929 s - in org.openscience.cdk.formula.IsotopePatternGeneratorTest\r\n[INFO] Running org.openscience.cdk.formula.MolecularFormulaRangeTest\r\n[INFO] Tests run: 16, Failures: 0, Errors: 0, Skipped: 0, Time elapsed: 0.001 s - in org.openscience.cdk.formula.MolecularFormulaRangeTest\r\n[INFO] Running org.openscience.cdk.formula.rules.ToleranceRangeRuleTest\r\n[INFO] Tests run: 11, Failures: 0, Errors: 0, Skipped: 0, Time elapsed: 0.001 s - in org.openscience.cdk.formula.rules.ToleranceRangeRuleTest\r\n[INFO] Running org.openscience.cdk.formula.rules.ChargeRuleTest\r\n[INFO] Tests run: 11, Failures: 0, Errors: 0, Skipped: 0, Time elapsed: 0.001 s - in org.openscience.cdk.formula.rules.ChargeRuleTest\r\n[INFO] Running org.openscience.cdk.formula.rules.IsotopePatternRuleTest\r\n[INFO] Tests run: 10, Failures: 0, Errors: 0, Skipped: 0, Time elapsed: 0.006 s - in org.openscience.cdk.formula.rules.IsotopePatternRuleTest\r\n[INFO] Running org.openscience.cdk.formula.rules.NitrogenRuleTest\r\n[INFO] Tests run: 23, Failures: 0, Errors: 0, Skipped: 0, Time elapsed: 0.001 s - in org.openscience.cdk.formula.rules.NitrogenRuleTest\r\n[INFO] Running org.openscience.cdk.formula.rules.ElementRuleTest\r\n[INFO] Tests run: 11, Failures: 0, Errors: 0, Skipped: 0, Time elapsed: 0.006 s - in org.openscience.cdk.formula.rules.ElementRuleTest\r\n[INFO] Running org.openscience.cdk.formula.rules.RDBERuleTest\r\n[INFO] Tests run: 19, Failures: 0, Errors: 0, Skipped: 0, Time elapsed: 0.012 s - in org.openscience.cdk.formula.rules.RDBERuleTest\r\n[INFO] Running org.openscience.cdk.formula.rules.MMElementRuleTest\r\n[INFO] Tests run: 10, Failures: 0, Errors: 0, Skipped: 0, Time elapsed: 0.004 s - in org.openscience.cdk.formula.rules.MMElementRuleTest\r\n[INFO] Running org.openscience.cdk.formula.IsotopePatternManipulatorTest\r\n[INFO] Tests run: 5, Failures: 0, Errors: 0, Skipped: 0, Time elapsed: 0 s - in org.openscience.cdk.formula.IsotopePatternManipulatorTest\r\n[INFO] Running org.openscience.cdk.formula.IsotopePatternSimilarityTest\r\n[INFO] Tests run: 7, Failures: 0, Errors: 0, Skipped: 0, Time elapsed: 0.035 s - in org.openscience.cdk.formula.IsotopePatternSimilarityTest\r\n[INFO] Running org.openscience.cdk.formula.MolecularFormulaCheckerTest\r\n[INFO] Tests run: 9, Failures: 0, Errors: 0, Skipped: 0, Time elapsed: 0.002 s - in org.openscience.cdk.formula.MolecularFormulaCheckerTest\r\n[INFO] \r\n[INFO] Results:\r\n[INFO] \r\n[INFO] Tests run: 293, Failures: 0, Errors: 0, Skipped: 0\r\n[INFO] \r\n[INFO] ------------------------------------------------------------------------\r\n[INFO] BUILD SUCCESS\r\n[INFO] ------------------------------------------------------------------------\r\n[INFO] Total time: 4.131 s\r\n[INFO] Finished at: 2018-05-18T10:54:15+01:00\r\n[INFO] ------------------------------------------------------------------------\r\n```"}}
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