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rapodaca / mx

Essential Cheminformatics
http://metamolecular.com/mx
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Creating DefaultMapper from copied molecule throws #2

Closed rapodaca closed 15 years ago

rapodaca commented 15 years ago

branch 66a98a380489daada54a1e562766822edd41c2ae

To reproduce: http://gist.github.com/129352

Expected: test passes

Found: test throws with

 [java] 1) testMapperFromCopiedMolecule(Test)java.lang.ArrayIndexOutOfBoundsException: -1
 [java]     at java.util.ArrayList.get(ArrayList.java:323)
 [java]     at com.metamolecular.mx.query.DefaultQuery.<init>(DefaultQuery.java:64)
 [java]     at com.metamolecular.mx.map.DefaultMapper.<init>(DefaultMapper.java:54)
 [java]     at Test.testMapperFromCopiedMolecule(Test.java:13)
 [java]     at sun.reflect.NativeMethodAccessorImpl.invoke0(Native Method)
 [java]     at sun.reflect.NativeMethodAccessorImpl.invoke(NativeMethodAccessorImpl.java:39)
 [java]     at sun.reflect.DelegatingMethodAccessorImpl.invoke(DelegatingMethodAccessorImpl.java:25)
 [java]     at TestEnvironment.main(TestEnvironment.java:13)

 [java] FAILURES!!!
 [java] Tests run: 1,  Failures: 0,  Errors: 1
rapodaca commented 15 years ago

Atom of copied molecule returns correct index. Closed by cf3e28b1208744e00bea91dc67ea92b6a68615d0