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