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java.lang.Objectuk.ac.cam.ch.wwmm.opsin.OpsinResult
public class OpsinResult
Holds the structure OPSIN has generated from a name Additionally holds a status code for whether name interpretation was successful
Nested Class Summary | |
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static class |
OpsinResult.OPSIN_RESULT_STATUS
Whether parsing the chemical name was successful, encountered problems or was unsuccessful. |
Method Summary | |
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java.lang.String |
getChemicalName()
Returns the chemical name that this OpsinResult was generated frm |
nu.xom.Element |
getCml()
Lazily evaluates and returns the CML corresponding to the molecule described by the name If name generation failed i.e. |
java.lang.String |
getMessage()
Returns a message explaining why generation of a molecule from the name failed This string will be blank when no problems were encountered |
java.lang.String |
getSmiles()
Lazily evaluates and returns the SMILES corresponding to the molecule described by the name If name generation failed i.e. |
OpsinResult.OPSIN_RESULT_STATUS |
getStatus()
Returns an enum with values SUCCESS, WARNING and FAILURE Currently warning is never used |
Methods inherited from class java.lang.Object |
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clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait |
Method Detail |
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public OpsinResult.OPSIN_RESULT_STATUS getStatus()
public java.lang.String getMessage()
public java.lang.String getChemicalName()
public nu.xom.Element getCml()
public java.lang.String getSmiles()
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