Package org.biojava.nbio.structure.chem

Class ChemComp

java.lang.Object
org.biojava.nbio.structure.chem.ChemComp
All Implemented Interfaces:
Serializable, Comparable<ChemComp>, CifBean
public class ChemComp extends Object implements CifBean, Comparable<ChemComp>
Properties of a chemical component.
Since:
6.0.0
Author:
Sebastian Bittrich
See Also:

  • Constructor Details

    • ChemComp

      public ChemComp()

  • Method Details

    • toString

      public String toString()
      Overrides:
      toString in class Object

    • hasParent

      public boolean hasParent()

    • isStandard

      public boolean isStandard()

    • getId

      public String getId()

    • setId

      public void setId(String id)

    • getName

      public String getName()

    • setName

      public void setName(String name)

    • getType

      public String getType()

    • setType

      public void setType(String type)

    • getResidueType

      public ResidueType getResidueType()

    • setResidueType

      public void setResidueType(ResidueType residueType)

    • getPolymerType

      public PolymerType getPolymerType()

    • setPolymerType

      public void setPolymerType(PolymerType polymerType)

    • getPdbxType

      public String getPdbxType()

    • setPdbxType

      public void setPdbxType(String pdbxType)

    • getFormula

      public String getFormula()

    • setFormula

      public void setFormula(String formula)

    • getMonNstdParentCompId

      public String getMonNstdParentCompId()

    • setMonNstdParentCompId

      public void setMonNstdParentCompId(String monNstdParentCompId)

    • getPdbxSynonyms

      public String getPdbxSynonyms()

    • setPdbxSynonyms

      public void setPdbxSynonyms(String pdbxSynonyms)

    • getPdbxFormalCharge

      public int getPdbxFormalCharge()

    • setPdbxFormalCharge

      public void setPdbxFormalCharge(int pdbxFormalCharge)

    • getPdbxInitialDate

      public String getPdbxInitialDate()

    • setPdbxInitialDate

      public void setPdbxInitialDate(String pdbxInitialDate)

    • getPdbxModifiedDate

      public String getPdbxModifiedDate()

    • setPdbxModifiedDate

      public void setPdbxModifiedDate(String pdbxModifiedDate)

    • getPdbxAmbiguousFlag

      public String getPdbxAmbiguousFlag()

    • setPdbxAmbiguousFlag

      public void setPdbxAmbiguousFlag(String pdbxAmbiguousFlag)

    • getPdbxReleaseStatus

      public String getPdbxReleaseStatus()

    • setPdbxReleaseStatus

      public void setPdbxReleaseStatus(String pdbxReleaseStatus)

    • getPdbxReplacedBy

      public String getPdbxReplacedBy()

    • setPdbxReplacedBy

      public void setPdbxReplacedBy(String pdbxReplacedBy)

    • getPdbxReplaces

      public String getPdbxReplaces()

    • setPdbxReplaces

      public void setPdbxReplaces(String pdbxReplaces)

    • getFormulaWeight

      public double getFormulaWeight()

    • setFormulaWeight

      public void setFormulaWeight(double formulaWeight)

    • getOneLetterCode

      public String getOneLetterCode()

    • setOneLetterCode

      public void setOneLetterCode(String oneLetterCode)

    • getThreeLetterCode

      public String getThreeLetterCode()

    • setThreeLetterCode

      public void setThreeLetterCode(String threeLetterCode)

    • getPdbxModelCoordinatesDetails

      public String getPdbxModelCoordinatesDetails()

    • setPdbxModelCoordinatesDetails

      public void setPdbxModelCoordinatesDetails(String pdbxModelCoordinatesDetails)

    • getPdbxModelCoordinatesMissingFlag

      public String getPdbxModelCoordinatesMissingFlag()

    • setPdbxModelCoordinatesMissingFlag

      public void setPdbxModelCoordinatesMissingFlag(String pdbxModelCoordinatesMissingFlag)

    • getPdbxIdealCoordinatesDetails

      public String getPdbxIdealCoordinatesDetails()

    • setPdbxIdealCoordinatesDetails

      public void setPdbxIdealCoordinatesDetails(String pdbxIdealCoordinatesDetails)

    • getPdbxIdealCoordinatesMissingFlag

      public String getPdbxIdealCoordinatesMissingFlag()

    • setPdbxIdealCoordinatesMissingFlag

      public void setPdbxIdealCoordinatesMissingFlag(String pdbxIdealCoordinatesMissingFlag)

    • getPdbxModelCoordinatesDbCode

      public String getPdbxModelCoordinatesDbCode()

    • setPdbxModelCoordinatesDbCode

      public void setPdbxModelCoordinatesDbCode(String pdbxModelCoordinatesDbCode)

    • getPdbxSubcomponentList

      public String getPdbxSubcomponentList()

    • setPdbxSubcomponentList

      public void setPdbxSubcomponentList(String pdbxSubcomponentList)

    • getPdbxProcessingSite

      public String getPdbxProcessingSite()

    • setPdbxProcessingSite

      public void setPdbxProcessingSite(String pdbxProcessingSite)

    • getMonNstdFlag

      public String getMonNstdFlag()

    • setMonNstdFlag

      public void setMonNstdFlag(String monNstdFlag)

    • getDescriptors

      public List<ChemCompDescriptor> getDescriptors()

    • setDescriptors

      public void setDescriptors(List<ChemCompDescriptor> descriptors)

    • getBonds

      public List<ChemCompBond> getBonds()

    • setBonds

      public void setBonds(List<ChemCompBond> bonds)

    • getAtoms

      public List<ChemCompAtom> getAtoms()

    • setAtoms

      public void setAtoms(List<ChemCompAtom> atoms)

    • compareTo

      public int compareTo(ChemComp arg0)
      Specified by:
      compareTo in interface Comparable<ChemComp>

    • equals

      public boolean equals(Object o)
      Overrides:
      equals in class Object

    • hashCode

      public int hashCode()
      Overrides:
      hashCode in class Object

    • getEmptyChemComp

      public static ChemComp getEmptyChemComp()
      Creates a new instance of the dummy empty ChemComp.
      Returns:
      a ChemComp

    • isEmpty

      public boolean isEmpty()
      Indicates whether this compound was created with
      Returns:
      a boolean