/*************************************************************************
* *
* This file is part of the 20n/act project. *
* 20n/act enables DNA prediction for synthetic biology/bioengineering. *
* Copyright (C) 2017 20n Labs, Inc. *
* *
* Please direct all queries to act@20n.com. *
* *
* This program is free software: you can redistribute it and/or modify *
* it under the terms of the GNU General Public License as published by *
* the Free Software Foundation, either version 3 of the License, or *
* (at your option) any later version. *
* *
* This program is distributed in the hope that it will be useful, *
* but WITHOUT ANY WARRANTY; without even the implied warranty of *
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
* GNU General Public License for more details. *
* *
* You should have received a copy of the GNU General Public License *
* along with this program. If not, see <http://www.gnu.org/licenses/>. *
* *
*************************************************************************/
package com.act.lcms.v2;
import com.act.biointerpretation.networkanalysis.InchiMetabolite;
import com.fasterxml.jackson.annotation.JsonSubTypes;
import com.fasterxml.jackson.annotation.JsonTypeInfo;
import java.util.Optional;
/**
* Representation of a metabolite
*/
@JsonTypeInfo(
use = JsonTypeInfo.Id.NAME,
include = JsonTypeInfo.As.PROPERTY,
property = "type")
@JsonSubTypes({
@JsonSubTypes.Type(value = InchiMetabolite.class, name = "inchi_metabolite")
})
public interface Metabolite {
/**
* Returns an optional structure
*/
Optional<MolecularStructure> getStructure();
/**
* Returns an optional formula
*/
Optional<ChemicalFormula> getFormula();
/**
* Returns the metabolite's mono-isotopic mass (in Da)
*/
Double getMonoIsotopicMass();
}