Package org.openscience.cdk.tools
Class DeAromatizationTool
java.lang.Object
org.openscience.cdk.tools.DeAromatizationTool
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.
- 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 -
Method Summary
Modifier and TypeMethodDescriptionstatic 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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Constructor Details
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DeAromatizationTool
public DeAromatizationTool()Deprecated.
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Method Details
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deAromatize
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
Deprecated. -
Dearomatize666Rings
Deprecated. -
Dearomatize566Rings
Deprecated. -
Dearomatize66Rings
Deprecated. -
Dearomatize56Rings
Deprecated. -
Dearomatize6Ring
Deprecated. -
Dearomatize5Ring
Deprecated.
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Kekulization
provides a faster, more generic and comprehensive algorithm.