ChemComp (biojava-structure 6.0.0-alpha2 API)

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:

Serialized Form

Constructor Summary

Constructors
Constructor and Description

ChemComp()

Constructors
Constructor and Description
`ChemComp()`

Method Summary

All Methods Static Methods Instance Methods Concrete Methods
Modifier and Type	Method and Description
`int`	`compareTo(ChemComp arg0)`
`boolean`	`equals(Object o)`
`List<ChemCompAtom>`	`getAtoms()`
`List<ChemCompBond>`	`getBonds()`
`List<ChemCompDescriptor>`	`getDescriptors()`
`static ChemComp`	`getEmptyChemComp()` Creates a new instance of the dummy empty ChemComp.
`String`	`getFormula()`
`double`	`getFormulaWeight()`
`String`	`getId()`
`String`	`getMonNstdFlag()`
`String`	`getMonNstdParentCompId()`
`String`	`getName()`
`String`	`getOneLetterCode()`
`String`	`getPdbxAmbiguousFlag()`
`int`	`getPdbxFormalCharge()`
`String`	`getPdbxIdealCoordinatesDetails()`
`String`	`getPdbxIdealCoordinatesMissingFlag()`
`String`	`getPdbxInitialDate()`
`String`	`getPdbxModelCoordinatesDbCode()`
`String`	`getPdbxModelCoordinatesDetails()`
`String`	`getPdbxModelCoordinatesMissingFlag()`
`String`	`getPdbxModifiedDate()`
`String`	`getPdbxProcessingSite()`
`String`	`getPdbxReleaseStatus()`
`String`	`getPdbxReplacedBy()`
`String`	`getPdbxReplaces()`
`String`	`getPdbxSubcomponentList()`
`String`	`getPdbxSynonyms()`
`String`	`getPdbxType()`
`PolymerType`	`getPolymerType()`
`ResidueType`	`getResidueType()`
`String`	`getThreeLetterCode()`
`String`	`getType()`
`int`	`hashCode()`
`boolean`	`hasParent()`
`boolean`	`isEmpty()` Indicates whether this compound was created with
`boolean`	`isStandard()`
`void`	`setAtoms(List<ChemCompAtom> atoms)`
`void`	`setBonds(List<ChemCompBond> bonds)`
`void`	`setDescriptors(List<ChemCompDescriptor> descriptors)`
`void`	`setFormula(String formula)`
`void`	`setFormulaWeight(double formulaWeight)`
`void`	`setId(String id)`
`void`	`setMonNstdFlag(String monNstdFlag)`
`void`	`setMonNstdParentCompId(String monNstdParentCompId)`
`void`	`setName(String name)`
`void`	`setOneLetterCode(String oneLetterCode)`
`void`	`setPdbxAmbiguousFlag(String pdbxAmbiguousFlag)`
`void`	`setPdbxFormalCharge(int pdbxFormalCharge)`
`void`	`setPdbxIdealCoordinatesDetails(String pdbxIdealCoordinatesDetails)`
`void`	`setPdbxIdealCoordinatesMissingFlag(String pdbxIdealCoordinatesMissingFlag)`
`void`	`setPdbxInitialDate(String pdbxInitialDate)`
`void`	`setPdbxModelCoordinatesDbCode(String pdbxModelCoordinatesDbCode)`
`void`	`setPdbxModelCoordinatesDetails(String pdbxModelCoordinatesDetails)`
`void`	`setPdbxModelCoordinatesMissingFlag(String pdbxModelCoordinatesMissingFlag)`
`void`	`setPdbxModifiedDate(String pdbxModifiedDate)`
`void`	`setPdbxProcessingSite(String pdbxProcessingSite)`
`void`	`setPdbxReleaseStatus(String pdbxReleaseStatus)`
`void`	`setPdbxReplacedBy(String pdbxReplacedBy)`
`void`	`setPdbxReplaces(String pdbxReplaces)`
`void`	`setPdbxSubcomponentList(String pdbxSubcomponentList)`
`void`	`setPdbxSynonyms(String pdbxSynonyms)`
`void`	`setPdbxType(String pdbxType)`
`void`	`setPolymerType(PolymerType polymerType)`
`void`	`setResidueType(ResidueType residueType)`
`void`	`setThreeLetterCode(String threeLetterCode)`
`void`	`setType(String type)`
`String`	`toString()`

Methods inherited from class java.lang.Object
clone, finalize, getClass, notify, notifyAll, wait, wait, wait

Constructor Detail
- ChemComp
```
public ChemComp()
```

Method Detail

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

Class ChemComp

Constructor Summary

Method Summary

Methods inherited from class java.lang.Object

Constructor Detail

ChemComp

Method Detail

toString

hasParent

isStandard

getId

setId

getName

setName

getType

setType

getResidueType

setResidueType

getPolymerType

setPolymerType

getPdbxType

setPdbxType

getFormula

setFormula

getMonNstdParentCompId

setMonNstdParentCompId

getPdbxSynonyms

setPdbxSynonyms

getPdbxFormalCharge

setPdbxFormalCharge

getPdbxInitialDate

setPdbxInitialDate

getPdbxModifiedDate

setPdbxModifiedDate

getPdbxAmbiguousFlag

setPdbxAmbiguousFlag

getPdbxReleaseStatus

setPdbxReleaseStatus

getPdbxReplacedBy

setPdbxReplacedBy

getPdbxReplaces

setPdbxReplaces

getFormulaWeight

setFormulaWeight

getOneLetterCode

setOneLetterCode

getThreeLetterCode

setThreeLetterCode

getPdbxModelCoordinatesDetails

setPdbxModelCoordinatesDetails

getPdbxModelCoordinatesMissingFlag

setPdbxModelCoordinatesMissingFlag

getPdbxIdealCoordinatesDetails

setPdbxIdealCoordinatesDetails

getPdbxIdealCoordinatesMissingFlag

setPdbxIdealCoordinatesMissingFlag

getPdbxModelCoordinatesDbCode

setPdbxModelCoordinatesDbCode

getPdbxSubcomponentList

setPdbxSubcomponentList

getPdbxProcessingSite

setPdbxProcessingSite

getMonNstdFlag

setMonNstdFlag

getDescriptors

setDescriptors

getBonds

setBonds

getAtoms

setAtoms

compareTo

equals

hashCode

getEmptyChemComp

isEmpty