Class EStateFragments
- java.lang.Object
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- org.openscience.cdk.config.fragments.EStateFragments
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public class EStateFragments extends Object
A class representing the 79 E-state atom types in terms of SMARTS. These fragments were originally described in [Hall, L.H. and Kier, L.B. . Journal of Chemical Information and Computer Science. 1995. 35] and were converted into SMARTS forms by the RDKit project- Author:
- Greg Landrum
- Source code:
- main
- Belongs to CDK module:
- standard
- Keywords:
- estate, fragment
- Created on:
- 2008-07-22
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Constructor Summary
Constructors Constructor Description EStateFragments()
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Method Summary
All Methods Static Methods Concrete Methods Modifier and Type Method Description static String[]
getNames()
Get the fragment names.static SmartsPattern[]
getPatterns()
static String[]
getSmarts()
Get the SMARTS patterns.
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Method Detail
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getNames
public static String[] getNames()
Get the fragment names.- Returns:
- a string array of the names
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getSmarts
public static String[] getSmarts()
Get the SMARTS patterns.- Returns:
- a string array with the SMARTS patterns
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getPatterns
public static SmartsPattern[] getPatterns()
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