Class CompoundInfo.Builder

java.lang.Object

org.episteme.natural.chemistry.loaders.CompoundInfo.Builder

Enclosing class:

CompoundInfo

public static class CompoundInfo.Builder
extends Object

Builder for CompoundInfo instances.

Since:

1.0

Author:

Silvere Martin-Michiellot, Gemini AI (Google DeepMind)

Constructor Summary

Constructors

Constructor	Description
Builder()

Method Summary

Modifier and Type	Method	Description
CompoundInfo	build()
CompoundInfo.Builder	canonicalSmiles(String smiles)
CompoundInfo.Builder	cid(long cid)
CompoundInfo.Builder	inchiKey(String inchiKey)
CompoundInfo.Builder	iupacName(String iupacName)
CompoundInfo.Builder	molecularFormula(String formula)
CompoundInfo.Builder	molecularWeight(double weight)
CompoundInfo.Builder	name(String name)

Methods inherited from class Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Details

Builder

public Builder()

Method Details

cid

public CompoundInfo.Builder cid(long cid)

name

public CompoundInfo.Builder name(String name)

molecularFormula

public CompoundInfo.Builder molecularFormula(String formula)

molecularWeight

public CompoundInfo.Builder molecularWeight(double weight)

iupacName

public CompoundInfo.Builder iupacName(String iupacName)

inchiKey

public CompoundInfo.Builder inchiKey(String inchiKey)

canonicalSmiles

public CompoundInfo.Builder canonicalSmiles(String smiles)

build

public CompoundInfo build()