@PublicAPI public class StandardizerResult extends java.lang.Object
Constructor and Description |
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StandardizerResult(Molecule original,
java.lang.Exception exception)
Initializes a standardizer result for an error
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StandardizerResult(Molecule original,
Molecule standardized,
java.util.List<Changes> changeList,
java.util.List<StandardizerAction> appliedActions)
Initializes a standardizer result for a successful execution
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StandardizerResult(Molecule original,
Molecule standardized,
java.util.List<StandardizerAction> appliedActions)
Initializes a standardizer result for a successful execution
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Modifier and Type | Method and Description |
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java.util.List<StandardizerAction> |
getAppliedActions()
Gets the list of applied actions
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java.util.List<Changes> |
getChangeList()
Gets the list of applied changes
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java.util.Map<StandardizerAction,Changes> |
getChangeMap()
The map containing the applied changes for each applied actions
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int[] |
getNewToOldMap()
Returns the new -> old atom index mapping.
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java.lang.Exception |
getOccurredException()
Gets the exception occurred during standardization process
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int[] |
getOldToNewMap()
Returns the old -> new atom index mapping.
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Molecule |
getOriginal()
Gets the original molecule
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Molecule |
getStandardized()
Gets the standardized molecule
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boolean |
isExceptionOccured()
Deprecated.
Misspelled method name, use
isExceptionOccurred() instead. |
boolean |
isExceptionOccurred()
Gets whether an exception occurred during standardization
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public StandardizerResult(Molecule original, Molecule standardized, java.util.List<Changes> changeList, java.util.List<StandardizerAction> appliedActions)
original
- the original moleculestandardized
- the standardized moleculechangeList
- the list of changesappliedActions
- the applied actionspublic StandardizerResult(Molecule original, Molecule standardized, java.util.List<StandardizerAction> appliedActions)
original
- the original moleculestandardized
- the standardized moleculeappliedActions
- the applied actionspublic StandardizerResult(Molecule original, java.lang.Exception exception)
original
- the original moleculeexception
- the exception of the errorpublic Molecule getOriginal()
public Molecule getStandardized()
public java.util.List<StandardizerAction> getAppliedActions()
public java.util.List<Changes> getChangeList()
public int[] getNewToOldMap()
public int[] getOldToNewMap()
public java.util.Map<StandardizerAction,Changes> getChangeMap()
public java.lang.Exception getOccurredException()
@Deprecated @SubjectToRemoval(date=JUL_01_2021) public boolean isExceptionOccured()
isExceptionOccurred()
instead.public boolean isExceptionOccurred()