001/*
002 * Copyright 2020 Leibniz-Institut für Analytische Wissenschaften – ISAS – e.V..
003 *
004 * Licensed under the Apache License, Version 2.0 (the "License");
005 * you may not use this file except in compliance with the License.
006 * You may obtain a copy of the License at
007 *
008 *      http://www.apache.org/licenses/LICENSE-2.0
009 *
010 * Unless required by applicable law or agreed to in writing, software
011 * distributed under the License is distributed on an "AS IS" BASIS,
012 * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
013 * See the License for the specific language governing permissions and
014 * limitations under the License.
015 */
016package de.isas.mztab2.model;
017
018import java.util.List;
019import java.util.Optional;
020import java.util.regex.Matcher;
021import java.util.regex.Pattern;
022import java.util.stream.Collectors;
023import static uk.ac.ebi.pride.jmztab2.model.MZTabConstants.REGEX_ABUNDANCE_ASSAY_COLUMN_NAME;
024
025/**
026 * Utility class for easier access to linked information within an mztab-M data
027 * object.
028 *
029 * @author nilshoffmann
030 */
031public class MzTabAccess {
032
033    private final MzTab mzTab;
034
035    /**
036     * Create an MzTabAccess object for the provided mzTab object.
037     *
038     * @param mzTab
039     */
040    public MzTabAccess(MzTab mzTab) {
041        this.mzTab = mzTab;
042    }
043
044    /**
045     * Retrieve all small molecule features in order of definition for the
046     * provided small molecule summary.
047     *
048     * @param sms the small molecule summary.
049     * @return the list of small molecule features.
050     */
051    public List<SmallMoleculeFeature> getFeatures(SmallMoleculeSummary sms) {
052        List<Integer> smfIds = sms.getSmfIdRefs();
053        return mzTab.getSmallMoleculeFeature().stream().filter((t) -> {
054            return smfIds.contains(t.getSmfId());
055        }).collect(Collectors.toList());
056    }
057
058    /**
059     * Retrieve all small molecule evidences in order of definition for the
060     * provided small molecule feature.
061     *
062     * @param smf the small molecule feature.
063     * @return the list of small molecule evidences.
064     */
065    public List<SmallMoleculeEvidence> getEvidences(SmallMoleculeFeature smf) {
066        List<Integer> smeIds = smf.getSmeIdRefs();
067        return mzTab.getSmallMoleculeEvidence().stream().filter((t) -> {
068            return smeIds.contains(t.getSmeId());
069        }).collect(Collectors.toList());
070    }
071
072    /**
073     * Retrieve all small molecule evidences for the provided evidence input id.
074     *
075     * @param evidenceInputId the evidence input it.
076     * @return the list of small molecule evidences.
077     */
078    public List<SmallMoleculeEvidence> getEvidencesByEvidenceInputId(String evidenceInputId) {
079        return mzTab.getSmallMoleculeEvidence().stream().filter((t) -> {
080            return t.getEvidenceInputId().equals(evidenceInputId);
081        }).collect(Collectors.toList());
082    }
083
084    /**
085     * Retrieves the abundance value for the provided assay and small molecule
086     * feature object.
087     *
088     * @param assay the assay.
089     * @param smf the small molecule feature object.
090     * @return the feature abundance. May be null.
091     */
092    public Double getAbundanceFor(Assay assay, SmallMoleculeFeature smf) {
093        return smf.getAbundanceAssay().get(assay.getId() - 1);
094    }
095
096    /**
097     * Retrieves the abundance value for the provided study variable and small
098     * molecule summary object.
099     *
100     * @param studyVariable the study variable.
101     * @param sms the small molecule summary object.
102     * @return the study variable abundance. May be null.
103     */
104    public Double getAbundanceFor(StudyVariable studyVariable, SmallMoleculeSummary sms) {
105        return sms.getAbundanceStudyVariable().get(studyVariable.getId() - 1);
106    }
107
108    /**
109     * Retrieves the abundance variation value for the provided study variable
110     * and small molecule summary object.
111     *
112     * @param studyVariable the study variable.
113     * @param sms the small molecule summary object.
114     * @return the study variable abundance variation. May be null.
115     */
116    public Double getAbundanceVariationFor(StudyVariable studyVariable, SmallMoleculeSummary sms) {
117        return sms.getAbundanceVariationStudyVariable().get(studyVariable.getId() - 1);
118    }
119
120    /**
121     * Retrieves the abundance value for the provided assay and small molecule
122     * summary object.
123     *
124     * @param assay the assay.
125     * @param sms the small molecule summary object.
126     * @return the assay abundance. May be null.
127     */
128    public Double getAbundanceFor(Assay assay, SmallMoleculeSummary sms) {
129        return sms.getAbundanceAssay().get(assay.getId() - 1);
130    }
131
132    /**
133     * Tries to locate the assay referenced by id from the metadata section.
134     *
135     * @param id the assay id.
136     * @param metadata the metadata used to locate the assay.
137     * @return an optional with the assay object, or an empty optiona
138     */
139    public Optional<Assay> getAssayFor(Integer id, Metadata metadata) {
140        return metadata.getAssay().stream().filter((t) -> {
141            return t.getId().equals(id);
142        }).findFirst();
143    }
144
145    /**
146     * Tries to locate the study variable referenced by id from the metadata
147     * section.
148     *
149     * @param id the study variable id.
150     * @param metadata the metadata used to locate the study variable.
151     * @return an optional with the study variable object, or an empty optiona
152     */
153    public Optional<StudyVariable> getStudyVariableFor(Integer id, Metadata metadata) {
154        return metadata.getStudyVariable().stream().filter((t) -> {
155            return t.getId().equals(id);
156        }).findFirst();
157    }
158
159    /**
160     * Tries to locate the ms run referenced by id from the metadata section.
161     *
162     * @param id the ms run id.
163     * @param metadata the metadata used to locate the ms run.
164     * @return an optional with the ms run object, or an empty optional.
165     */
166    public Optional<MsRun> getMsRunFor(Integer id, Metadata metadata) {
167        return metadata.getMsRun().stream().filter((t) -> {
168            return t.getId().equals(id);
169        }).findFirst();
170    }
171
172    /**
173     * Tries to locate the database referenced by id from the metadata section.
174     *
175     * @param id the database id.
176     * @param metadata the metadata used to locate the database.
177     * @return an optional with the database object, or an empty optional.
178     */
179    public Optional<Database> getDatabaseFor(Integer id, Metadata metadata) {
180        return metadata.getDatabase().stream().filter((t) -> {
181            return t.getId().equals(id);
182        }).findFirst();
183    }
184
185    /**
186     * Tries to locate the assay referenced by id from the columnMapping
187     * identifier. Returns an empty optional if either the identifier was null
188     * or not an assay, or no matching assay was found.
189     *
190     * @param columnMapping the column mapping.
191     * @param metadata the metadata used to locate the assay.
192     * @return an optional with the assay object, or an empty optional.
193     */
194    public Optional<Assay> getAssayFor(OptColumnMapping columnMapping, Metadata metadata) {
195        String identifier = columnMapping.getIdentifier();
196        if (identifier != null) {
197            Pattern p = Pattern.compile(REGEX_ABUNDANCE_ASSAY_COLUMN_NAME);
198            Matcher m = p.matcher(identifier);
199            if (m.find()) {
200                Integer assayId = Integer.parseInt(m.group(1));
201                return getAssayFor(assayId, metadata);
202            }
203        }
204        return Optional.empty();
205    }
206}