Class ChemCompBond

  • All Implemented Interfaces:
    java.io.Serializable

    public class ChemCompBond
    extends java.lang.Object
    implements java.io.Serializable
    See Also:
    Serialized Form
    • Constructor Detail

      • ChemCompBond

        public ChemCompBond()
    • Method Detail

      • getComp_id

        public java.lang.String getComp_id()
      • setComp_id

        public void setComp_id​(java.lang.String comp_id)
      • getAtom_id_1

        public java.lang.String getAtom_id_1()
      • setAtom_id_1

        public void setAtom_id_1​(java.lang.String atom_id_1)
      • getAtom_id_2

        public java.lang.String getAtom_id_2()
      • setAtom_id_2

        public void setAtom_id_2​(java.lang.String atom_id_2)
      • getValue_order

        public java.lang.String getValue_order()
      • setValue_order

        public void setValue_order​(java.lang.String value_order)
      • getPdbx_aromatic_flag

        public java.lang.String getPdbx_aromatic_flag()
      • setPdbx_aromatic_flag

        public void setPdbx_aromatic_flag​(java.lang.String pdbx_aromatic_flag)
      • getPdbx_stereo_config

        public java.lang.String getPdbx_stereo_config()
      • setPdbx_stereo_config

        public void setPdbx_stereo_config​(java.lang.String pdbx_stereo_config)
      • getPdbx_ordinal

        public java.lang.String getPdbx_ordinal()
      • setPdbx_ordinal

        public void setPdbx_ordinal​(java.lang.String pdbx_ordinal)
      • 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.