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 newerKekulizationprovides 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 booleandeAromatize(IRing ring)Deprecated.Methods that takes a ring of which all bonds are aromatic, and assigns single and double bonds.static voidDearomatize(IAtomContainer molecule)Deprecated.static booleanDearomatize566Rings(IRingSet rings)Deprecated.static booleanDearomatize56Rings(IRingSet rings)Deprecated.static booleanDearomatize5Ring(IRingSet rings)Deprecated.static booleanDearomatize666Rings(IRingSet rings)Deprecated.static booleanDearomatize66Rings(IRingSet rings)Deprecated.static booleanDearomatize6Ring(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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