Package org.biojava.nbio.structure.io.mmcif.model

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: