chemaxon.standardizer.concurrent

Class StandardizerResult

java.lang.Object

chemaxon.standardizer.concurrent.StandardizerResult

@PublicAPI
public class StandardizerResult
extends java.lang.Object

Result of a standardization process for a molecule

Since:

6.0

Author:

Imre Barna

Constructor Summary

Constructors

Constructor and Description
StandardizerResult(Molecule original, java.lang.Exception exception) Initializes a standardizer result for an error
StandardizerResult(Molecule original, Molecule standardized, java.util.List<Changes> changeList, java.util.List<StandardizerAction> appliedActions) Initializes a standardizer result for a successful execution
StandardizerResult(Molecule original, Molecule standardized, java.util.List<StandardizerAction> appliedActions) Initializes a standardizer result for a successful execution

Method Summary

Modifier and Type	Method and Description
java.util.List<StandardizerAction>	getAppliedActions() Gets the list of applied actions
java.util.List<Changes>	getChangeList() Gets the list of applied changes
java.util.Map<StandardizerAction,Changes>	getChangeMap() The map containing the applied changes for each applied actions
int[]	getNewToOldMap() Returns the new -> old atom index mapping.
java.lang.Exception	getOccurredException() Gets the exception occurred during standardization process
int[]	getOldToNewMap() Returns the old -> new atom index mapping.
Molecule	getOriginal() Gets the original molecule
Molecule	getStandardized() Gets the standardized molecule
boolean	isExceptionOccured() Deprecated. Misspelled method name, use isExceptionOccurred() instead.
boolean	isExceptionOccurred() Gets whether an exception occurred during standardization

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Detail

StandardizerResult

public StandardizerResult(Molecule original,
                          Molecule standardized,
                          java.util.List<Changes> changeList,
                          java.util.List<StandardizerAction> appliedActions)

Initializes a standardizer result for a successful execution

Parameters:

original - the original molecule

standardized - the standardized molecule

changeList - the list of changes

appliedActions - the applied actions

StandardizerResult

public StandardizerResult(Molecule original,
                          Molecule standardized,
                          java.util.List<StandardizerAction> appliedActions)

Initializes a standardizer result for a successful execution

Parameters:

original - the original molecule

standardized - the standardized molecule

appliedActions - the applied actions

Since:

JChem 6.4

StandardizerResult

public StandardizerResult(Molecule original,
                          java.lang.Exception exception)

Initializes a standardizer result for an error

Parameters:

original - the original molecule

exception - the exception of the error

Method Detail

getOriginal

public Molecule getOriginal()

Gets the original molecule

Returns:

the original molecule

getStandardized

public Molecule getStandardized()

Gets the standardized molecule

Returns:

the standardized molecule

getAppliedActions

public java.util.List<StandardizerAction> getAppliedActions()

Gets the list of applied actions

Returns:

the list of applied actions

getChangeList

public java.util.List<Changes> getChangeList()

Gets the list of applied changes

Returns:

the list of applied changes

getNewToOldMap

public int[] getNewToOldMap()

Returns the new -> old atom index mapping.
newToOld[i]==j means that the i-th atom of the new molecule corresponds to the j-th atom of the old molecule.

Returns:

the new -> old atom index mapping

getOldToNewMap

public int[] getOldToNewMap()

Returns the old -> new atom index mapping.
oldToNew[i]==j means that the i-th atom of the old molecule corresponds to the j-th atom of the new molecule.

Returns:

the old -> new atom index mapping

getChangeMap

public java.util.Map<StandardizerAction,Changes> getChangeMap()

The map containing the applied changes for each applied actions

Returns:

map containing the applied changes for each applied actions

getOccurredException

public java.lang.Exception getOccurredException()

Gets the exception occurred during standardization process

Returns:

the exception occurred during standardization process

isExceptionOccured

@Deprecated
 @SubjectToRemoval(date=JUL_01_2021)
public boolean isExceptionOccured()

Deprecated. Misspelled method name, use isExceptionOccurred() instead.

Gets whether an exception occurred during standardization

Returns:

whether an exception occurred during standardization

isExceptionOccurred

public boolean isExceptionOccurred()

Gets whether an exception occurred during standardization

Returns:

whether an exception occurred during standardization