Class ChemCompBond
- java.lang.Object
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- org.biojava.nbio.structure.io.mmcif.model.ChemCompBond
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- All Implemented Interfaces:
Serializable
public class ChemCompBond extends Object implements Serializable
- See Also:
- Serialized Form
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Constructor Summary
Constructors Constructor Description ChemCompBond()
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description String
getAtom_id_1()
String
getAtom_id_2()
String
getComp_id()
int
getNumericalBondOrder()
Converts this ChemCompBond's value_order attribute into an int using the conversion:String
getPdbx_aromatic_flag()
String
getPdbx_ordinal()
String
getPdbx_stereo_config()
String
getValue_order()
void
setAtom_id_1(String atom_id_1)
void
setAtom_id_2(String atom_id_2)
void
setComp_id(String comp_id)
void
setPdbx_aromatic_flag(String pdbx_aromatic_flag)
void
setPdbx_ordinal(String pdbx_ordinal)
void
setPdbx_stereo_config(String pdbx_stereo_config)
void
setValue_order(String value_order)
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Constructor Detail
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ChemCompBond
public ChemCompBond()
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Method Detail
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getComp_id
public String getComp_id()
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setComp_id
public void setComp_id(String comp_id)
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getAtom_id_1
public String getAtom_id_1()
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setAtom_id_1
public void setAtom_id_1(String atom_id_1)
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getAtom_id_2
public String getAtom_id_2()
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setAtom_id_2
public void setAtom_id_2(String atom_id_2)
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getValue_order
public String getValue_order()
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setValue_order
public void setValue_order(String value_order)
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getPdbx_aromatic_flag
public String getPdbx_aromatic_flag()
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setPdbx_aromatic_flag
public void setPdbx_aromatic_flag(String pdbx_aromatic_flag)
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getPdbx_stereo_config
public String getPdbx_stereo_config()
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setPdbx_stereo_config
public void setPdbx_stereo_config(String pdbx_stereo_config)
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getPdbx_ordinal
public String getPdbx_ordinal()
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setPdbx_ordinal
public void setPdbx_ordinal(String pdbx_ordinal)
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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.
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