Kekulization
provides a faster, more generic and
comprehensive algorithm.@Deprecated public class DeAromatizationTool extends Object
Constructor and Description |
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DeAromatizationTool()
Deprecated.
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Modifier and Type | Method and Description |
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static void |
Dearomatize(IAtomContainer molecule)
Deprecated.
|
static boolean |
deAromatize(IRing ring)
Deprecated.
Methods that takes a ring of which all bonds are aromatic, and assigns single
and double bonds.
|
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.
|
public static boolean deAromatize(IRing ring)
ring
- Ring to dearomatizepublic static void Dearomatize(IAtomContainer molecule)
public static boolean Dearomatize666Rings(IRingSet rings)
public static boolean Dearomatize566Rings(IRingSet rings)
public static boolean Dearomatize66Rings(IRingSet rings)
public static boolean Dearomatize56Rings(IRingSet rings)
public static boolean Dearomatize6Ring(IRingSet rings)
public static boolean Dearomatize5Ring(IRingSet rings)
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