Class EStateFragments
java.lang.Object
org.openscience.cdk.config.fragments.EStateFragments
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 -
Method Summary
Modifier and TypeMethodDescriptionstatic String[]
getNames()
Get the fragment names.static SmartsPattern[]
static String[]
Get the SMARTS patterns.
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Constructor Details
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EStateFragments
public EStateFragments()
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Method Details
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getNames
Get the fragment names.- Returns:
- a string array of the names
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getSmarts
Get the SMARTS patterns.- Returns:
- a string array with the SMARTS patterns
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getPatterns
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