ambit2.base.interfaces

Interface IChemical

All Superinterfaces:

Serializable

All Known Subinterfaces:

IStructureRecord

All Known Implementing Classes:

Additive, CompositionRelation, Constituent, Impurity, StructureRecord, SubstanceRecord

public interface IChemical
extends Serializable

Method Summary

Modifier and Type	Method and Description
String	getFormula()
int	getIdchemical()
String	getInchi()
String	getInchiKey()
String	getSmiles()
void	setFormula(String formula)
void	setIdchemical(int idchemical)
void	setInchi(String inchi)
void	setInchiKey(String key)
void	setSmiles(String smiles)
void	setUsePreferedStructure(boolean value)
boolean	usePreferedStructure()

Method Detail

getFormula

String getFormula()

setFormula

void setFormula(String formula)

getSmiles

String getSmiles()

setSmiles

void setSmiles(String smiles)

getInchi

String getInchi()

setInchi

void setInchi(String inchi)

getInchiKey

String getInchiKey()

setInchiKey

void setInchiKey(String key)

getIdchemical

int getIdchemical()

setIdchemical

void setIdchemical(int idchemical)

usePreferedStructure

boolean usePreferedStructure()

setUsePreferedStructure

void setUsePreferedStructure(boolean value)