Package org.openscience.cdk.isomorphism
Class BondMatcher
- java.lang.Object
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- org.openscience.cdk.isomorphism.BondMatcher
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public abstract class BondMatcher extends Object
Defines compatibility checking of bonds for (subgraph)-isomorphism mapping.- Author:
- John May
- Belongs to CDK module:
- isomorphism
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Constructor Summary
Constructors Constructor Description BondMatcher()
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Method Summary
All Methods Static Methods Instance Methods Abstract Methods Concrete Methods Modifier and Type Method Description static BondMatcher
forAny()
All bonds are compatible.static BondMatcher
forOrder()
Bonds are compatible if they are both aromatic or their orders are equal.static BondMatcher
forQuery()
static BondMatcher
forStrictOrder()
Bonds are compatible if they are both aromatic or their orders are equal and they are non-aromatic.abstract boolean
matches(IBond bond1, IBond bond2)
Determines ifbond1
is compatible withbond2
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Method Detail
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matches
public abstract boolean matches(IBond bond1, IBond bond2)
Determines ifbond1
is compatible withbond2
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bond1
- a bond from the query structurebond2
- a bond from the target structure- Returns:
- the bonds are compatible
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forAny
public static BondMatcher forAny()
All bonds are compatible.- Returns:
- a bond matcher
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forStrictOrder
public static BondMatcher forStrictOrder()
Bonds are compatible if they are both aromatic or their orders are equal and they are non-aromatic. Under this matcher a single/double bond will not match a single/double bond which is aromatic.- Returns:
- a bond matcher
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forOrder
public static BondMatcher forOrder()
Bonds are compatible if they are both aromatic or their orders are equal. This matcher allows a single/double bond to match a single/double aromatic bond.- Returns:
- a bond matcher
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forQuery
public static BondMatcher forQuery()
- Returns:
- a bond matcher
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