Class ChemCompBond

Method Details

• getComp_id

  public String getComp_id()

• setComp_id

  public void setComp_id(String comp_id)

• getAtom_id_1

  public String getAtom_id_1()

• setAtom_id_1

  public void setAtom_id_1(String atom_id_1)

• getAtom_id_2

  public String getAtom_id_2()

• setAtom_id_2

  public void setAtom_id_2(String atom_id_2)

• getValue_order

  public String getValue_order()

• setValue_order

  public void setValue_order(String value_order)

• getPdbx_aromatic_flag

  public String getPdbx_aromatic_flag()

• setPdbx_aromatic_flag

  public void setPdbx_aromatic_flag(String pdbx_aromatic_flag)

• getPdbx_stereo_config

  public String getPdbx_stereo_config()

• setPdbx_stereo_config

  public void setPdbx_stereo_config(String pdbx_stereo_config)

• getPdbx_ordinal

  public String getPdbx_ordinal()

• setPdbx_ordinal

  public void setPdbx_ordinal(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.