Package org.openscience.cdk.tools
Class DeAromatizationTool
- java.lang.Object
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- org.openscience.cdk.tools.DeAromatizationTool
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@Deprecated public class DeAromatizationTool extends Object
Deprecated.the newerKekulization
provides a faster, more generic and comprehensive algorithm.Methods that takes a ring of which all bonds are aromatic, and assigns single and double bonds. It does this in a non-general way by looking at the ring size and take everything as a special case.- Author:
- seb
- Source code:
- main
- Belongs to CDK module:
- extra
- Keywords:
- aromatic ring, bond order adjustment
- Created on:
- 13. April 2005
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Constructor Summary
Constructors Constructor Description DeAromatizationTool()
Deprecated.
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Method Summary
All Methods Static Methods Concrete Methods Deprecated Methods Modifier and Type Method Description static boolean
deAromatize(IRing ring)
Deprecated.Methods that takes a ring of which all bonds are aromatic, and assigns single and double bonds.static void
Dearomatize(IAtomContainer molecule)
Deprecated.static boolean
Dearomatize566Rings(IRingSet rings)
Deprecated.static boolean
Dearomatize56Rings(IRingSet rings)
Deprecated.static boolean
Dearomatize5Ring(IRingSet rings)
Deprecated.static boolean
Dearomatize666Rings(IRingSet rings)
Deprecated.static boolean
Dearomatize66Rings(IRingSet rings)
Deprecated.static boolean
Dearomatize6Ring(IRingSet rings)
Deprecated.
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Method Detail
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deAromatize
public static boolean deAromatize(IRing ring)
Deprecated.Methods that takes a ring of which all bonds are aromatic, and assigns single and double bonds. It does this in a non-general way by looking at the ring size and take everything as a special case.- Parameters:
ring
- Ring to dearomatize- Returns:
- False if it could not convert the aromatic ring bond into single and double bonds
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Dearomatize
public static void Dearomatize(IAtomContainer molecule)
Deprecated.
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Dearomatize666Rings
public static boolean Dearomatize666Rings(IRingSet rings)
Deprecated.
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Dearomatize566Rings
public static boolean Dearomatize566Rings(IRingSet rings)
Deprecated.
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Dearomatize66Rings
public static boolean Dearomatize66Rings(IRingSet rings)
Deprecated.
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Dearomatize56Rings
public static boolean Dearomatize56Rings(IRingSet rings)
Deprecated.
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Dearomatize6Ring
public static boolean Dearomatize6Ring(IRingSet rings)
Deprecated.
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Dearomatize5Ring
public static boolean Dearomatize5Ring(IRingSet rings)
Deprecated.
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