Contenu du fichier pom.xml :<\/summary>\n<?xml version=\"1.0\" encoding=\"UTF-8\"?>\n<project xmlns=\"http:\/\/maven.apache.org\/POM\/4.0.0\" xmlns:xsi=\"http:\/\/www.w3.org\/2001\/XMLSchema-instance\"\n\txsi:schemaLocation=\"http:\/\/maven.apache.org\/POM\/4.0.0 https:\/\/maven.apache.org\/xsd\/maven-4.0.0.xsd\">\n\t<modelVersion>4.0.0<\/modelVersion>\n\t<parent>\n\t\t<groupId>org.springframework.boot<\/groupId>\n\t\t<artifactId>spring-boot-starter-parent<\/artifactId>\n\t\t<version>2.5.0<\/version>\n\t\t<relativePath\/> <!-- lookup parent from repository -->\n\t<\/parent>\n\t<groupId>fr.spgoo<\/groupId>\n\t<artifactId>chembl<\/artifactId>\n\t<version>0.0.1-SNAPSHOT<\/version>\n\t<name>spgoo-chembl<\/name>\n\t<description>service d'exploration de cible<\/description>\n\t<url\/>\n\t<licenses>\n\t\t<license\/>\n\t<\/licenses>\n\t<developers>\n\t\t<developer\/>\n\t<\/developers>\n\t<scm>\n\t\t<connection\/>\n\t\t<developerConnection\/>\n\t\t<tag\/>\n\t\t<url\/>\n\t<\/scm>\n\t<properties>\n\t\t<java.version>11<\/java.version>\n\t<\/properties>\n\t<dependencies>\n\t\t<dependency>\n\t\t\t<groupId>org.springframework.boot<\/groupId>\n\t\t\t<artifactId>spring-boot-starter-jersey<\/artifactId>\n\t\t<\/dependency>\n\t\t<dependency>\n\t\t\t<groupId>org.springframework.boot<\/groupId>\n\t\t\t<artifactId>spring-boot-starter-web<\/artifactId>\n\t\t<\/dependency>\n\t\t<dependency>\n\t\t\t<groupId>org.springframework.boot<\/groupId>\n\t\t\t<artifactId>spring-boot-starter-web-services<\/artifactId>\n\t\t<\/dependency>\n <dependency>\n <groupId>org.springframework.boot<\/groupId>\n <artifactId>spring-boot-starter-data-jpa<\/artifactId>\n <\/dependency>\t\n\t <dependency>\n\t <groupId>mysql<\/groupId>\n\t <artifactId>mysql-connector-java<\/artifactId>\n\t\t <scope>runtime<\/scope>\n\t <\/dependency>\t\n\t <dependency>\n\t <groupId>org.springframework.data<\/groupId>\n\t <artifactId>spring-data-jpa<\/artifactId>\n\t <\/dependency>\n\t <dependency>\n\t\t <groupId>org.springframework.boot<\/groupId>\n\t\t <artifactId>spring-boot-starter-test<\/artifactId>\n \t\t <scope>test<\/scope>\n\t <\/dependency>\t\n\t<\/dependencies>\n\n\t<build>\n\t\t<plugins>\n\t\t\t<plugin>\n\t\t\t\t<groupId>org.springframework.boot<\/groupId>\n\t\t\t\t<artifactId>spring-boot-maven-plugin<\/artifactId>\n\t\t\t<\/plugin>\n\t\t<\/plugins>\n\t<\/build>\n\n<\/project>\n\n\n<\/code><\/pre>\n\n\n\n<\/p>\n<\/details>\n\n\n\n
Structuration du projet avec un exemple sur la table compound_structures<\/p>\n\n\n
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Entity<\/summary>\npackage fr.spgoo.chembl;\n\nimport javax.persistence.Column;\nimport javax.persistence.Entity;\nimport javax.persistence.Id;\n\n@Entity\npublic class Compound_structures {\n\t@Id\n\tprivate Long molregno;\n\tprivate String molfile;\n\t@Column(name = \"standard_inchi\", nullable = false)\n\tprivate String standardinchi;\n\t@Column(name = \"standard_inchi_key\", nullable = false)\n\tprivate String standardinchikey;\n\t@Column(name = \"canonical_smiles\", nullable = false)\n\tprivate String canonicalsmiles;\n\n\tpublic Compound_structures() {\n\n\t}\n\n\tpublic Long getMolregno() {\n\t\treturn molregno;\n\t}\n\n\tpublic void setMolregno(Long molregno) {\n\t\tthis.molregno = molregno;\n\t}\n\n\tpublic String getMolfile() {\n\t\treturn molfile;\n\t}\n\n\tpublic void setMolfile(String molfile) {\n\t\tthis.molfile = molfile;\n\t}\n\n\tpublic String getStandardinchikey() {\n\t\treturn standardinchikey;\n\t}\n\n\tpublic void setStandardinchikey(String standardinchikey) {\n\t\tthis.standardinchikey = standardinchikey;\n\t}\n\n\tpublic String getStandardinchi() {\n\t\treturn standardinchi;\n\t}\n\n\tpublic void setStandardinchi(String standardinchi) {\n\t\tthis.standardinchi = standardinchi;\n\t}\n\n\tpublic String getCanonicalsmiles() {\n\t\treturn canonicalsmiles;\n\t}\n\n\tpublic void setCanonicalsmiles(String canonicalsmiles) {\n\t\tthis.canonicalsmiles = canonicalsmiles;\n\t}\n\n}\n<\/code><\/pre>\n<\/details>\n\n\n\nInterface<\/summary>\npackage fr.spgoo.chembl;\n\nimport java.util.List;\n\nimport org.springframework.data.jpa.repository.JpaRepository;\nimport org.springframework.data.jpa.repository.Query;\nimport org.springframework.data.repository.query.Param;\n\npublic interface Repository_Compound_structures extends JpaRepository<Compound_structures, Long> { \n\tList<Compound_structures> findByMolregno(Long molregno);\n\t\n\tList<Compound_structures> findByStandardinchikey(String inchikey);\n\n}\n<\/code><\/pre>\n<\/details>\n\n\n\nService<\/summary>\npackage fr.spgoo.chembl;\n\nimport java.util.List;\n\nimport org.springframework.beans.factory.annotation.Autowired;\nimport org.springframework.stereotype.Service;\n\n@Service \npublic class Serv_compound_structures {\n\n\t@Autowired\n private Repository_Compound_structures Repository;\n\n public List<Compound_structures> findByMolregno(Long inchikey) {\n return Repository.findByMolregno(inchikey);\n }\n public List<Compound_structures> findByStandardinchikey(String inchikey) {\n return Repository.findByStandardinchikey(inchikey);\n }\n\t\n\t\n}<\/code><\/pre>\n<\/details>\n\n\n\nDataController<\/summary>\npackage fr.spgoo.chembl;\n\nimport java.util.List;\n\nimport org.springframework.beans.factory.annotation.Autowired;\nimport org.springframework.core.env.Environment;\nimport org.springframework.web.bind.annotation.CrossOrigin;\nimport org.springframework.web.bind.annotation.GetMapping;\nimport org.springframework.web.bind.annotation.PathVariable;\nimport org.springframework.web.bind.annotation.RequestMapping;\nimport org.springframework.web.bind.annotation.RestController;\n\n@CrossOrigin(\"*\")\n@RestController\n@RequestMapping(\"\/chembl\")\npublic class DataController {\n\t@Autowired\n private Serv_compound_structures SRV_compound_structures;\n\t\n\t@GetMapping(\"\/find\/molregno\/{molregno}\")\n\tpublic List<Compound_structures> findByTitle(@PathVariable Long molregno) {\n\t return SRV_compound_structures.findByMolregno(molregno);\n\t}\n\n\t@GetMapping(\"\/find\/inchikey\/{inchikey}\")\n\tpublic List<Compound_structures> findByStandardinchikey(@PathVariable String inchikey) {\n\t return SRV_compound_structures.findByStandardinchikey(inchikey);\n\t}\n\t\n}\n<\/code><\/pre>\n<\/details>\n\n\n\nExemples d’appel et affichage des r\u00e9sultats : <\/p>\n\n\n\n
http:\/\/localhost:9999\/chembl\/find\/inchikey\/PSOPUAQFGCRDIP-UHFFFAOYSA-N<\/p>\n\n\n\nR\u00e9sultats<\/summary>\n[\n{\n\"molregno\": 4,\n\"molfile\": \"\\n RDKit 2D\\n\\n 23 25 0 0 0 0 0 0 0 0999 V2000\\n 6.3417 -2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 6.8542 -2.7250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 6.3417 -1.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 7.3750 -2.4250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 7.3750 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 6.8542 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 6.8500 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 6.8542 -3.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 5.8167 -2.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 6.8500 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 7.3667 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 6.8542 -0.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 6.3292 -5.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 7.3667 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 6.3292 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 6.3292 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 7.3667 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 7.3667 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 7.8792 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 8.4042 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 7.8875 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 8.4042 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 8.9250 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 2 1 1 0\\n 3 1 1 0\\n 4 2 1 0\\n 5 6 1 0\\n 6 3 1 0\\n 7 10 1 0\\n 8 2 1 0\\n 9 1 2 0\\n 10 16 2 0\\n 11 7 1 0\\n 12 6 2 0\\n 13 7 2 0\\n 14 8 1 0\\n 15 8 2 0\\n 16 15 1 0\\n 17 14 2 0\\n 18 11 2 0\\n 19 11 1 0\\n 20 19 2 0\\n 21 18 1 0\\n 22 20 1 0\\n 23 22 1 0\\n 4 5 2 0\\n 10 17 1 0\\n 21 22 2 0\\nM END\",\n\"standardinchi\": \"InChI=1S\/C17H13N3O3\/c1-11-2-4-12(5-3-11)16(22)13-6-8-14(9-7-13)20-17(23)19-15(21)10-18-20\/h2-10H,1H3,(H,19,21,23)\",\n\"standardinchikey\": \"PSOPUAQFGCRDIP-UHFFFAOYSA-N\",\n\"canonicalsmiles\": \"Cc1ccc(C(=O)c2ccc(-n3ncc(=O)[nH]c3=O)cc2)cc1\"\n}\n]<\/code><\/pre>\n<\/details>\n\n\n\nhttp:\/\/localhost:9999\/chembl\/find\/molregno\/1<\/p>\n\n\n\nR\u00e9sultat<\/summary>\n[\n{\n\"molregno\": 1,\n\"molfile\": \"\\n RDKit 2D\\n\\n 24 26 0 0 0 0 0 0 0 0999 V2000\\n 5.2792 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 5.7917 -2.3500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 5.2792 -1.4500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 6.3125 -2.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\\n 5.7875 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 5.7875 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 6.3125 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 6.3042 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 5.7917 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 5.7917 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 5.2667 -3.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 5.2667 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 6.3042 -3.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.7542 -2.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 6.3042 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 5.2667 -5.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 6.3042 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 5.7917 -0.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\\n 5.7792 -5.9417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\\n 6.8167 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 4.7417 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 6.8250 -5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 7.3417 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 7.3417 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\\n 2 1 1 0\\n 3 1 1 0\\n 4 2 1 0\\n 5 6 1 0\\n 6 13 1 0\\n 7 9 1 0\\n 8 5 1 0\\n 9 3 1 0\\n 10 2 1 0\\n 11 12 1 0\\n 12 10 2 0\\n 13 17 2 0\\n 14 1 2 0\\n 15 8 2 0\\n 16 5 2 0\\n 17 10 1 0\\n 18 9 2 0\\n 19 15 1 0\\n 20 8 1 0\\n 21 11 1 0\\n 22 15 1 0\\n 23 20 2 0\\n 24 23 1 0\\n 4 7 2 0\\n 11 6 2 0\\n 22 24 2 0\\nM END\",\n\"standardinchi\": \"InChI=1S\/C17H12ClN3O3\/c1-10-8-11(21-17(24)20-15(22)9-19-21)6-7-12(10)16(23)13-4-2-3-5-14(13)18\/h2-9H,1H3,(H,20,22,24)\",\n\"standardinchikey\": \"OWRSAHYFSSNENM-UHFFFAOYSA-N\",\n\"canonicalsmiles\": \"Cc1cc(-n2ncc(=O)[nH]c2=O)ccc1C(=O)c1ccccc1Cl\"\n}\n]<\/code><\/pre>\n<\/details>\n\n\n\nRetour d’exp\u00e9rience de cette mise en place : <\/p>\n\n\n\n
Quelques recommandations \u00e0 prendre en compte : attention aux noms d’attributs avec des caract\u00e8res sp\u00e9ciaux (_), dans ce cas il faut utiliser la directive column pour associer l’attribut de la table avec un nom de variable sans ces caract\u00e8res sp\u00e9ciaux. <\/p>\n\n\n\n
Vous aurez observer que dans le service il n’y a pas d’indication de requ\u00eate SQL correspondant \u00e0 l’extraction des donn\u00e9es de la base, on a juste indiquer l’instruction suivante: <\/p>\n\n\n\n
List<Compound_structures> findByMolregno(Long molregno);<\/code><\/pre>\n\n\n\nC’est la partie JPA qui prend en charge de fa\u00e7on implicite lors du chargement par l’Autowired de la r\u00e9solution correspondante. Dans cette exemple, l’ORM interpr\u00e8te le nom de la fonction Molregno comme une demande d\u2019extraction d’un attribut molregno d’une classe Compound_structures. Classe dans laquelle on doit retrouver l’attribut molregno de type Long. <\/p>\n\n\n\n
Prise en compte du NULL dans les attributs <\/p>\n\n\n\n
Dans la d\u00e9finition de la classe de l’Entity faire attention aux types utilis\u00e9s . Ne pas utiliser les types de bases (Primitive types are not nullable) qui n’acceptent pas la valeur NULL lors de l’affectation il faut pr\u00e9f\u00e9rer les types “objet” String, Long, Integer ….. qui eux acceptent la valeur NULL. donc dans ce cas l’ORM est bien en mesure d’instancier un objet correctement. <\/p>\n
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