Class ChemCompBond

java.lang.Object
org.biojava.nbio.structure.chem.ChemCompBond
All Implemented Interfaces:
Serializable, CifBean

public class ChemCompBond extends Object implements CifBean
Properties of a bond in a chemical component.
Since:
6.0.0
Author:
Sebastian Bittrich
See Also:
  • Constructor Details

    • ChemCompBond

      public ChemCompBond()
  • Method Details

    • getLogger

      public static org.slf4j.Logger getLogger()
    • getCompId

      public String getCompId()
    • setCompId

      public void setCompId(String compId)
    • getAtomId1

      public String getAtomId1()
    • setAtomId1

      public void setAtomId1(String atomId1)
    • getAtomId2

      public String getAtomId2()
    • setAtomId2

      public void setAtomId2(String atomId2)
    • getValueOrder

      public String getValueOrder()
    • setValueOrder

      public void setValueOrder(String valueOrder)
    • getPdbxAromaticFlag

      public String getPdbxAromaticFlag()
    • setPdbxAromaticFlag

      public void setPdbxAromaticFlag(String pdbxAromaticFlag)
    • getPdbxStereoConfig

      public String getPdbxStereoConfig()
    • setPdbxStereoConfig

      public void setPdbxStereoConfig(String pdbxStereoConfig)
    • getPdbxOrdinal

      public int getPdbxOrdinal()
    • setPdbxOrdinal

      public void setPdbxOrdinal(int pdbxOrdinal)
    • getNumericalBondOrder

      public int getNumericalBondOrder()
      Converts this ChemCompBond's value_order attribute into an int using the conversion:
              SING -> 1
              DOUB -> 2
              TRIP -> 3
              QUAD -> 4
       
      Any other values will return -1.

      (Source: http://mmcif.rcsb.org/dictionaries/mmcif_mdb.dic/Items/_chem_comp_bond. value_order.html)

      Returns:
      the numerical value of this ChemCompBond's bond order, or -1 if the value is non-numeric or unknown.