Class BondMatcher

java.lang.Object
org.openscience.cdk.isomorphism.BondMatcher

public abstract class BondMatcher extends Object
Defines compatibility checking of bonds for (subgraph)-isomorphism mapping.
Author:
John May
Belongs to CDK module:
isomorphism
  • Constructor Details

    • BondMatcher

      public BondMatcher()
  • Method Details

    • matches

      public abstract boolean matches(IBond bond1, IBond bond2)
      Determines if bond1 is compatible with bond2.
      Parameters:
      bond1 - a bond from the query structure
      bond2 - a bond from the target structure
      Returns:
      the bonds are compatible
    • forAny

      public static BondMatcher forAny()
      All bonds are compatible.
      Returns:
      a bond matcher
    • 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
    • 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
    • forQuery

      public static BondMatcher forQuery()
      Bonds are compatible if the first bond1 (an IQueryBond) matches the second, bond2.
      Returns:
      a bond matcher