Class ChemComp

  • All Implemented Interfaces:
    java.io.Serializable, java.lang.Comparable<ChemComp>

    public class ChemComp
    extends java.lang.Object
    implements java.io.Serializable, java.lang.Comparable<ChemComp>
    A definition for a Chemical Component, as maintained by the wwPDB. For access to all definitions, please download the components.cif.gz file from the wwPDB website.
    Author:
    Andreas Prlic
    See Also:
    Serialized Form
    • Constructor Detail

      • ChemComp

        public ChemComp()
    • Method Detail

      • toString

        public java.lang.String toString()
        Overrides:
        toString in class java.lang.Object
      • hasParent

        public boolean hasParent()
      • isStandard

        public boolean isStandard()
      • getId

        public java.lang.String getId()
      • setId

        public void setId​(java.lang.String id)
      • getName

        public java.lang.String getName()
      • setName

        public void setName​(java.lang.String name)
      • getType

        public java.lang.String getType()
      • setType

        public void setType​(java.lang.String type)
      • setResidueType

        public void setResidueType​(ResidueType residueType)
      • setPolymerType

        public void setPolymerType​(PolymerType polymerType)
      • getPdbx_type

        public java.lang.String getPdbx_type()
      • setPdbx_type

        public void setPdbx_type​(java.lang.String pdbx_type)
      • getFormula

        public java.lang.String getFormula()
      • setFormula

        public void setFormula​(java.lang.String formula)
      • getMon_nstd_parent_comp_id

        public java.lang.String getMon_nstd_parent_comp_id()
      • setMon_nstd_parent_comp_id

        public void setMon_nstd_parent_comp_id​(java.lang.String mon_nstd_parent_comp_id)
      • getPdbx_synonyms

        public java.lang.String getPdbx_synonyms()
      • setPdbx_synonyms

        public void setPdbx_synonyms​(java.lang.String pdbx_synonyms)
      • getPdbx_formal_charge

        public java.lang.String getPdbx_formal_charge()
      • setPdbx_formal_charge

        public void setPdbx_formal_charge​(java.lang.String pdbx_formal_charge)
      • getPdbx_initial_date

        public java.lang.String getPdbx_initial_date()
      • setPdbx_initial_date

        public void setPdbx_initial_date​(java.lang.String pdbx_initial_date)
      • getPdbx_modified_date

        public java.lang.String getPdbx_modified_date()
      • setPdbx_modified_date

        public void setPdbx_modified_date​(java.lang.String pdbx_modified_date)
      • getPdbx_ambiguous_flag

        public java.lang.String getPdbx_ambiguous_flag()
      • setPdbx_ambiguous_flag

        public void setPdbx_ambiguous_flag​(java.lang.String pdbx_ambiguous_flag)
      • getPdbx_release_status

        public java.lang.String getPdbx_release_status()
      • setPdbx_release_status

        public void setPdbx_release_status​(java.lang.String pdbx_release_status)
      • getPdbx_replaced_by

        public java.lang.String getPdbx_replaced_by()
      • setPdbx_replaced_by

        public void setPdbx_replaced_by​(java.lang.String pdbx_replaced_by)
      • getPdbx_replaces

        public java.lang.String getPdbx_replaces()
      • setPdbx_replaces

        public void setPdbx_replaces​(java.lang.String pdbx_replaces)
      • getFormula_weight

        public java.lang.String getFormula_weight()
      • setFormula_weight

        public void setFormula_weight​(java.lang.String formula_weight)
      • getOne_letter_code

        public java.lang.String getOne_letter_code()
      • setOne_letter_code

        public void setOne_letter_code​(java.lang.String one_letter_code)
      • getThree_letter_code

        public java.lang.String getThree_letter_code()
      • setThree_letter_code

        public void setThree_letter_code​(java.lang.String three_letter_code)
      • getPdbx_model_coordinates_details

        public java.lang.String getPdbx_model_coordinates_details()
      • setPdbx_model_coordinates_details

        public void setPdbx_model_coordinates_details​(java.lang.String pdbx_model_coordinates_details)
      • getPdbx_model_coordinates_missing_flag

        public java.lang.String getPdbx_model_coordinates_missing_flag()
      • setPdbx_model_coordinates_missing_flag

        public void setPdbx_model_coordinates_missing_flag​(java.lang.String pdbx_model_coordinates_missing_flag)
      • getPdbx_ideal_coordinates_details

        public java.lang.String getPdbx_ideal_coordinates_details()
      • setPdbx_ideal_coordinates_details

        public void setPdbx_ideal_coordinates_details​(java.lang.String pdbx_ideal_coordinates_details)
      • getPdbx_ideal_coordinates_missing_flag

        public java.lang.String getPdbx_ideal_coordinates_missing_flag()
      • setPdbx_ideal_coordinates_missing_flag

        public void setPdbx_ideal_coordinates_missing_flag​(java.lang.String pdbx_ideal_coordinates_missing_flag)
      • getPdbx_model_coordinates_db_code

        public java.lang.String getPdbx_model_coordinates_db_code()
      • setPdbx_model_coordinates_db_code

        public void setPdbx_model_coordinates_db_code​(java.lang.String pdbx_model_coordinates_db_code)
      • getPdbx_subcomponent_list

        public java.lang.String getPdbx_subcomponent_list()
      • setPdbx_subcomponent_list

        public void setPdbx_subcomponent_list​(java.lang.String pdbx_subcomponent_list)
      • getPdbx_processing_site

        public java.lang.String getPdbx_processing_site()
      • setPdbx_processing_site

        public void setPdbx_processing_site​(java.lang.String pdbx_processing_site)
      • setStandard

        public void setStandard​(boolean standard)
      • getMon_nstd_flag

        public java.lang.String getMon_nstd_flag()
      • setMon_nstd_flag

        public void setMon_nstd_flag​(java.lang.String mon_nstd_flag)
      • setDescriptors

        public void setDescriptors​(java.util.List<ChemCompDescriptor> descriptors)
      • setBonds

        public void setBonds​(java.util.List<ChemCompBond> bonds)
      • setAtoms

        public void setAtoms​(java.util.List<ChemCompAtom> atoms)
      • compareTo

        public int compareTo​(ChemComp arg0)
        Specified by:
        compareTo in interface java.lang.Comparable<ChemComp>
      • hashCode

        public int hashCode()
        Overrides:
        hashCode in class java.lang.Object
      • equals

        public boolean equals​(java.lang.Object obj)
        Overrides:
        equals in class java.lang.Object
      • getEmptyChemComp

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

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