public class ChemCompBond
extends java.lang.Object
Constructor and Description |
---|
ChemCompBond() |
Modifier and Type | Method and Description |
---|---|
java.lang.String |
getAtom_id_1() |
java.lang.String |
getAtom_id_2() |
java.lang.String |
getComp_id() |
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.
|
java.lang.String |
getPdbx_aromatic_flag() |
java.lang.String |
getPdbx_ordinal() |
java.lang.String |
getPdbx_stereo_config() |
java.lang.String |
getValue_order() |
void |
setAtom_id_1(java.lang.String atom_id_1) |
void |
setAtom_id_2(java.lang.String atom_id_2) |
void |
setComp_id(java.lang.String comp_id) |
void |
setPdbx_aromatic_flag(java.lang.String pdbx_aromatic_flag) |
void |
setPdbx_ordinal(java.lang.String pdbx_ordinal) |
void |
setPdbx_stereo_config(java.lang.String pdbx_stereo_config) |
void |
setValue_order(java.lang.String value_order) |
public java.lang.String getComp_id()
public void setComp_id(java.lang.String comp_id)
public java.lang.String getAtom_id_1()
public void setAtom_id_1(java.lang.String atom_id_1)
public java.lang.String getAtom_id_2()
public void setAtom_id_2(java.lang.String atom_id_2)
public java.lang.String getValue_order()
public void setValue_order(java.lang.String value_order)
public java.lang.String getPdbx_aromatic_flag()
public void setPdbx_aromatic_flag(java.lang.String pdbx_aromatic_flag)
public java.lang.String getPdbx_stereo_config()
public void setPdbx_stereo_config(java.lang.String pdbx_stereo_config)
public java.lang.String getPdbx_ordinal()
public void setPdbx_ordinal(java.lang.String pdbx_ordinal)
public int getNumericalBondOrder()
SING -> 1 DOUB -> 2 TRIP -> 3 QUAD -> 4Any other values will return -1.
(Source: http://mmcif.rcsb.org/dictionaries/mmcif_mdb.dic/Items/_chem_comp_bond. value_order.html)