Package org.biojava.nbio.structure.chem
Class ChemCompBond
- java.lang.Object
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- org.biojava.nbio.structure.chem.ChemCompBond
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- 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:
- Serialized Form
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Constructor Summary
Constructors Constructor Description ChemCompBond()
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Method Summary
All Methods Static Methods Instance Methods Concrete Methods Modifier and Type Method Description StringgetAtomId1()StringgetAtomId2()StringgetCompId()static org.slf4j.LoggergetLogger()intgetNumericalBondOrder()Converts this ChemCompBond's value_order attribute into an int using the conversion:StringgetPdbxAromaticFlag()intgetPdbxOrdinal()StringgetPdbxStereoConfig()StringgetValueOrder()voidsetAtomId1(String atomId1)voidsetAtomId2(String atomId2)voidsetCompId(String compId)voidsetPdbxAromaticFlag(String pdbxAromaticFlag)voidsetPdbxOrdinal(int pdbxOrdinal)voidsetPdbxStereoConfig(String pdbxStereoConfig)voidsetValueOrder(String valueOrder)
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Constructor Detail
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ChemCompBond
public ChemCompBond()
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Method Detail
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getLogger
public static org.slf4j.Logger getLogger()
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getAtomId1
public String getAtomId1()
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setAtomId1
public void setAtomId1(String atomId1)
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getAtomId2
public String getAtomId2()
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setAtomId2
public void setAtomId2(String atomId2)
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getValueOrder
public String getValueOrder()
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setValueOrder
public void setValueOrder(String valueOrder)
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getPdbxAromaticFlag
public String getPdbxAromaticFlag()
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setPdbxAromaticFlag
public void setPdbxAromaticFlag(String pdbxAromaticFlag)
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getPdbxStereoConfig
public String getPdbxStereoConfig()
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setPdbxStereoConfig
public void setPdbxStereoConfig(String pdbxStereoConfig)
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getPdbxOrdinal
public int getPdbxOrdinal()
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setPdbxOrdinal
public void setPdbxOrdinal(int pdbxOrdinal)
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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 -> 4Any 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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