Package org.openscience.cdk.smsd.helper
Class FinalMappings
java.lang.Object
org.openscience.cdk.smsd.helper.FinalMappings
- All Implemented Interfaces:
IFinalMapping
Deprecated.
SMSD has been deprecated from the CDK with a newer, more recent
version of SMSD is available at http://github.com/asad/smsd.
Class that stores raw mapping(s) after each algorithm is executed.
- Author:
- Syed Asad Rahman <asad@ebi.ac.uk>
- Source code:
- main
- Belongs to CDK module:
- smsd
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Constructor Summary
Constructors -
Method Summary
Modifier and TypeMethodDescriptionvoid
Deprecated.Adds mapping to the mapping listvoid
clear()
Deprecated.clear the mappingDeprecated.Returns the stored mappingsstatic FinalMappings
Deprecated.Stores mapping solutionsDeprecated.Returns a mapping Iteratorint
getSize()
Deprecated.Returns number of stored mappingsfinal void
Deprecated.Sets mapping list
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Constructor Details
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FinalMappings
protected FinalMappings()Deprecated.
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Method Details
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getInstance
Deprecated.Stores mapping solutions- Returns:
- instance of this object
-
add
Deprecated.Adds mapping to the mapping list- Specified by:
add
in interfaceIFinalMapping
- Parameters:
mapping
- List of all MCS mapping between a given reactant and product
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set
Deprecated.Sets mapping list- Specified by:
set
in interfaceIFinalMapping
- Parameters:
list
- list of mappings
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getIterator
Deprecated.Returns a mapping Iterator- Specified by:
getIterator
in interfaceIFinalMapping
- Returns:
- Iterator of mappings
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clear
public void clear()Deprecated.clear the mapping- Specified by:
clear
in interfaceIFinalMapping
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getFinalMapping
Deprecated.Returns the stored mappings- Specified by:
getFinalMapping
in interfaceIFinalMapping
- Returns:
- get of MCS mapping List
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getSize
public int getSize()Deprecated.Returns number of stored mappings- Specified by:
getSize
in interfaceIFinalMapping
- Returns:
- size of the mapping
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