SmallMoleculeEvidenceColumn.java
/*
* Copyright 2018 Leibniz-Institut für Analytische Wissenschaften – ISAS – e.V..
*
* Licensed under the Apache License, Version 2.0 (the "License");
* you may not use this file except in compliance with the License.
* You may obtain a copy of the License at
*
* http://www.apache.org/licenses/LICENSE-2.0
*
* Unless required by applicable law or agreed to in writing, software
* distributed under the License is distributed on an "AS IS" BASIS,
* WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
* See the License for the specific language governing permissions and
* limitations under the License.
*/
package uk.ac.ebi.pride.jmztab2.model;
import de.isas.mztab2.model.IndexedElement;
import de.isas.mztab2.model.Parameter;
import de.isas.mztab2.model.SmallMoleculeEvidence;
import static de.isas.mztab2.model.SmallMoleculeEvidence.Properties.*;
import de.isas.mztab2.model.StringList;
import java.util.Arrays;
import java.util.List;
import java.util.stream.Collectors;
/**
* Define the stable columns which have stable order in the small molecule
* evidence header line. Refactored to contain an enum for stable columns.
*
* @author nilshoffmann
* @since 11/09/17
*
*/
public class SmallMoleculeEvidenceColumn implements ISmallMoleculeEvidenceColumn {
private final IMZTabColumn column;
SmallMoleculeEvidenceColumn(String name, Class dataType, boolean optional,
String order) {
this.column = new MZTabColumn(name, dataType, optional, order);
}
SmallMoleculeEvidenceColumn(String name, Class dataType, boolean optional,
String order, Integer id) {
this.column = new MZTabColumn(name, dataType, optional, order, id);
}
/**
* Stable {@link SmallMoleculeEvidenceColumn} definition templates.
*/
public static enum Stable {
SME_ID(smeId.toUpper(), Integer.class, false, "01"),
EVIDENCE_INPUT_ID(evidenceInputId, Integer.class, false, "02"),
DATABASE_IDENTIFIER(databaseIdentifier, String.class, false, "03"),
CHEMICAL_FORMULA(
chemicalFormula, String.class, true, "04"),
SMILES(smiles,
String.class, true, "05"),
INCHI(inchi,
String.class, true, "06"),
CHEMICAL_NAME(
chemicalName, String.class, true, "07"),
URI(uri,
java.net.URI.class, true, "08"),
DERIVATIZED_FORM(derivatizedForm, String.class, true, "09"),
ADDUCT_ION(
adductIon, String.class, false, "10"),
EXP_MASS_TO_CHARGE(
expMassToCharge, Double.class, false, "11"),
CHARGE(charge, Integer.class, false, "12"),
THEORETICAL_MASS_TO_CHARGE(theoreticalMassToCharge, Double.class,
false, "13"),
SPECTRA_REF(spectraRef, StringList.class, false, "14"),
IDENTIFICATION_METHOD(identificationMethod, Parameter.class, false,
"15"),
MS_LEVEL(msLevel, Parameter.class, false, "16"),
RANK(rank, Integer.class, false, "17");
private final ISmallMoleculeEvidenceColumn column;
private Stable(SmallMoleculeEvidence.Properties property,
Class columnType, boolean optional,
String order) {
this.column = new SmallMoleculeEvidenceColumn(property.
getPropertyName(), columnType, optional,
order);
}
private Stable(String name, Class columnType, boolean optional,
String order) {
this.column = new SmallMoleculeEvidenceColumn(name, columnType,
optional,
order);
}
private Stable(String name, Class columnType, boolean optional,
String order, Integer id) {
this.column = new SmallMoleculeEvidenceColumn(name, columnType,
optional,
order, id);
}
/**
* Returns a stable column instance template.
*
* @param name the column name (lower case).
* @return the stable column instance template.
* @throws IllegalArgumentException for unknown column names.
*/
public static SmallMoleculeEvidenceColumn.Stable forName(String name) throws IllegalArgumentException {
SmallMoleculeEvidenceColumn.Stable s = Arrays.stream(
SmallMoleculeEvidenceColumn.Stable.values()).
filter((v) ->
v.column.
getName().
equals(name)).
findFirst().
orElseThrow(() ->
new IllegalArgumentException("Unknown key:" + name));
return s;
}
/**
* Returns a new {@link ISmallMoleculeEvidenceColumn} instance for the
* given stable column template.
*
* @param s the small molecule evidence stable column template.
* @return a new small molecule column instance
* {@link SmallMoleculeEvidenceColumn}.
*/
public static ISmallMoleculeEvidenceColumn columnFor(
SmallMoleculeEvidenceColumn.Stable s) {
return new SmallMoleculeEvidenceColumn(s.column.getName(), s.column.
getDataType(), s.column.isOptional(), s.column.getOrder());
}
/**
* Returns a new {@link ISmallMoleculeEvidenceColumn} instance for the
* given stable column name.
*
* @param name the small molecule stable column template name (lower
* case).
* @return a new small molecule column instance
* {@link SmallMoleculeEvidenceColumn}.
* @throws IllegalArgumentException for unknown column names.
*/
public static ISmallMoleculeEvidenceColumn columnFor(String name) throws IllegalArgumentException {
return columnFor(forName(name));
}
/**
* Returns all stable {@link SmallMoleculeEvidenceColumn} templates.
*
* @return the stable small molecule columns templates.
*/
public static List<ISmallMoleculeEvidenceColumn> columns() {
return Arrays.stream(SmallMoleculeEvidenceColumn.Stable.values()).
map((s) ->
{
return new SmallMoleculeEvidenceColumn(s.column.getName(),
s.column.getDataType(), s.column.isOptional(), s.column.
getOrder());
}).
collect(Collectors.toList());
}
};
/**
* {@inheritDoc}
*/
@Override
public Class<?> getDataType() {
return this.column.getDataType();
}
/**
* {@inheritDoc}
*/
@Override
public IndexedElement getElement() {
return this.column.getElement();
}
/**
* {@inheritDoc}
*/
@Override
public String getHeader() {
return this.column.getHeader();
}
/**
* {@inheritDoc}
*/
@Override
public String getLogicPosition() {
return this.column.getLogicPosition();
}
/**
* {@inheritDoc}
*/
@Override
public String getName() {
return this.column.getName();
}
/**
* {@inheritDoc}
*/
@Override
public String getOrder() {
return this.column.getOrder();
}
/**
* {@inheritDoc}
*/
@Override
public boolean isOptional() {
return this.column.isOptional();
}
/**
* {@inheritDoc}
*/
@Override
public void setHeader(String header) {
this.column.setHeader(header);
}
/**
* {@inheritDoc}
*/
@Override
public void setLogicPosition(String logicPosition) {
this.column.setLogicPosition(logicPosition);
}
/**
* {@inheritDoc}
*/
@Override
public void setOrder(String order) {
this.column.setOrder(order);
}
/**
* {@inheritDoc}
*/
@Override
public void setElement(IndexedElement element) {
this.column.setElement(element);
}
}