Chemaxon

Chemaxon Registration API

Registration related operations

GitHub OpenAPI

Operations 8

POST /registrationService/validate/manual Validates manual registration #
POST /registrationService/validate/auto Validates auto registration #
POST /registrationService/manualValidation Validates manual registrations #
POST /registrationService/autoValidation Validates auto registrations #
POST /registrationService/autoRegister Registers the provided structure #
POST /registrationService/advancedRegister Registers the provided structure with the provided advanced options #
POST /registrationService/advancedAutoRegister Use advancedRegister method instead! #
GET /registrationService/registrationResult Collects result for a registration process #

Documentation

📖
Documentation
https://docs.chemaxon.com/latest/jchem-microservices_developer-guide.html
📖
Documentation
https://docs.chemaxon.com/latest/compound-registration_api-documentation.html

Specifications

⚙
OpenAPI
https://artifacts.apis.io/chemaxon/openapi/chemaxon-registration-api-openapi.yml

Schemas & Data

📊
JSONSchema
https://artifacts.apis.io/chemaxon/json-schema/chemaxon-registry-structure-schema.json
📊
JSONSchema
https://artifacts.apis.io/chemaxon/json-schema/chemaxon-validate-auto-registration-request-schema.json
📊
JSONSchema
https://artifacts.apis.io/chemaxon/json-schema/chemaxon-advanced-auto-register-request-schema.json

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OpenAPI Specification

chemaxon-registration-api-openapi.yml Raw ↑ 
openapi: 3.2.0
info:
  title: Chemaxon Registration API
  version: 26.1.5-2610221056
  description: 'Operations tagged Registration across 2 of this provider''s published API definitions: chemaxon-compound-registration-openapi.json, chemaxon-compound-registration-openapi.yml. Each path carries the servers of the definition it was published in.'
servers:
- url: /RegistryCxn/rest
tags:
- name: Registration
  description: Registration related operations
paths:
  /registrationService/validate/manual:
    post:
      tags:
      - Registration
      summary: Validates manual registration
      operationId: validateManualRegister
      requestBody:
        content:
          application/json:
            schema:
              $ref: '#/components/schemas/ValidateManualRegistrationRequest'
        required: true
      responses:
        '400':
          description: Bad Request
          content:
            '*/*':
              schema:
                $ref: '#/components/schemas/ErrorMessage'
        '200':
          description: OK
          content:
            '*/*':
              schema:
                $ref: '#/components/schemas/StatusMessagesResponse'
        '201':
          description: Created
        '401':
          description: Unauthorized
        '403':
          description: Forbidden
        '404':
          description: Not Found
    servers:
    - url: /RegistryCxn/rest
  /registrationService/validate/auto:
    post:
      tags:
      - Registration
      summary: Validates auto registration
      operationId: validateAutoRegister
      requestBody:
        content:
          application/json:
            schema:
              $ref: '#/components/schemas/ValidateAutoRegistrationRequest'
        required: true
      responses:
        '400':
          description: Bad Request
          content:
            '*/*':
              schema:
                $ref: '#/components/schemas/ErrorMessage'
        '200':
          description: OK
          content:
            '*/*':
              schema:
                $ref: '#/components/schemas/StatusMessagesResponse'
        '201':
          description: Created
        '401':
          description: Unauthorized
        '403':
          description: Forbidden
        '404':
          description: Not Found
    servers:
    - url: /RegistryCxn/rest
  /registrationService/manualValidation:
    post:
      tags:
      - Registration
      summary: Validates manual registrations
      operationId: validateManualRegisterList
      requestBody:
        content:
          application/json:
            schema:
              $ref: '#/components/schemas/ValidateManualRegistrationRequests'
        required: true
      responses:
        '400':
          description: Bad Request
          content:
            '*/*':
              schema:
                $ref: '#/components/schemas/ErrorMessage'
        '200':
          description: OK
          content:
            '*/*':
              schema:
                $ref: '#/components/schemas/StatusMessagesResponses'
        '201':
          description: Created
        '401':
          description: Unauthorized
        '403':
          description: Forbidden
        '404':
          description: Not Found
    servers:
    - url: /RegistryCxn/rest
  /registrationService/autoValidation:
    post:
      tags:
      - Registration
      summary: Validates auto registrations
      operationId: validateAutoRegisterList
      requestBody:
        content:
          application/json:
            schema:
              $ref: '#/components/schemas/ValidateAutoRegistrationRequests'
        required: true
      responses:
        '400':
          description: Bad Request
          content:
            '*/*':
              schema:
                $ref: '#/components/schemas/ErrorMessage'
        '200':
          description: OK
          content:
            '*/*':
              schema:
                $ref: '#/components/schemas/StatusMessagesResponses'
        '201':
          description: Created
        '401':
          description: Unauthorized
        '403':
          description: Forbidden
        '404':
          description: Not Found
    servers:
    - url: /RegistryCxn/rest
  /registrationService/autoRegister:
    post:
      tags:
      - Registration
      summary: Registers the provided structure
      operationId: autoRegister
      requestBody:
        content:
          application/json:
            schema:
              $ref: '#/components/schemas/AutoRegisterRequest'
        required: true
      responses:
        '400':
          description: Bad Request
          content:
            '*/*':
              schema:
                $ref: '#/components/schemas/ErrorMessage'
        '200':
          description: OK
          content:
            '*/*':
              schema:
                $ref: '#/components/schemas/RegistrationResponse'
        '201':
          description: Created
        '401':
          description: Unauthorized
        '403':
          description: Forbidden
        '404':
          description: Not Found
    servers:
    - url: /RegistryCxn/rest
  /registrationService/advancedRegister:
    post:
      tags:
      - Registration
      summary: Registers the provided structure with the provided advanced options
      operationId: advancedRegister
      requestBody:
        content:
          application/json:
            schema:
              $ref: '#/components/schemas/AdvancedRegisterRequest'
        required: true
      responses:
        '400':
          description: Bad Request
          content:
            '*/*':
              schema:
                $ref: '#/components/schemas/ErrorMessage'
        '200':
          description: OK
          content:
            '*/*':
              schema:
                $ref: '#/components/schemas/RegistrationResponse'
        '201':
          description: Created
        '401':
          description: Unauthorized
        '403':
          description: Forbidden
        '404':
          description: Not Found
    servers:
    - url: /RegistryCxn/rest
  /registrationService/advancedAutoRegister:
    post:
      tags:
      - Registration
      summary: Use advancedRegister method instead!
      operationId: advancedAutoRegister
      requestBody:
        content:
          application/json:
            schema:
              $ref: '#/components/schemas/AdvancedAutoRegisterRequest'
        required: true
      responses:
        '400':
          description: Bad Request
          content:
            '*/*':
              schema:
                $ref: '#/components/schemas/ErrorMessage'
        '200':
          description: OK
          content:
            '*/*':
              schema:
                $ref: '#/components/schemas/RegistrationResponse'
        '201':
          description: Created
        '401':
          description: Unauthorized
        '403':
          description: Forbidden
        '404':
          description: Not Found
    servers:
    - url: /RegistryCxn/rest
  /registrationService/registrationResult:
    get:
      tags:
      - Registration
      summary: Collects result for a registration process
      operationId: getRegistrationResult
      parameters:
      - name: submissionId
        in: query
        required: true
        schema:
          type: integer
          format: int64
      responses:
        '400':
          description: Bad Request
          content:
            '*/*':
              schema:
                $ref: '#/components/schemas/ErrorMessage'
        '200':
          description: OK
          content:
            '*/*':
              schema:
                $ref: '#/components/schemas/RegistryResponse'
        '401':
          description: Unauthorized
        '403':
          description: Forbidden
        '404':
          description: Not Found
    servers:
    - url: /RegistryCxn/rest
components:
  schemas:
    AutoRegisterRequest:
      type: object
      properties:
        source:
          type: string
          description: Source
          example: REGISTRAR
        lotId:
          type: integer
          format: int64
          description: Lot ID
          example: 12345
        lnbRef:
          type: string
          description: LnbRef
          example: A12345
        alternativeIdentifierTypeIds:
          type: array
          description: Alternative Identifier Type IDs
          items:
            type: integer
            format: int32
        structure:
          $ref: '#/components/schemas/RegistryStructure'
          description: Structure to be registered
        preRegistration:
          type: boolean
          description: Send submission to Staging
      required:
      - lnbRef
      - source
      - structure
    RegistryComponent:
      type: object
      properties:
        compId:
          type: string
          description: ID of the component structure if it already exists
          example: CXN1
          xml:
            name: CompId
        molfile:
          type: string
          description: Representation of the compound in any format supported by JChem
          example: C
          xml:
            name: Molfile
        helm:
          type: string
          description: Representation of the macromolecule compound in HELM format
          example: PEPTIDE1{Y.G.G.F.L.[am]}$$$$
          xml:
            name: Helm
        range:
          type: string
          description: Component range in case of Mixture structure type
          example: 45-55%
          xml:
            name: Range
        percentage:
          type: number
          format: float
          description: Exact component percentage in case of Formulation structure type
          example: 50
          xml:
            name: Percentage
        cst:
          type: string
          description: Chemically Significant Text (CST)
          example: CST
          xml:
            name: CST
        structureId:
          type: integer
          format: int64
          description: Structure ID
        unknownId:
          type: integer
          format: int32
          description: Unknown ID
        creatorId:
          type: string
          deprecated: true
          description: The user who started the registration procedure
          example: admin
      required:
      - compId
      - molfile
    ValidateAutoRegistrationRequest:
      type: object
      properties:
        lnbRef:
          type: string
          description: LnbRef
          example: A12345
        lotId:
          type: integer
          format: int64
          description: LotId
          example: 1
        rejectDuplicatedIds:
          type: boolean
          description: Configuration to rejectDuplicateIds
          example: false
        userId:
          type: string
          description: The userId who started the procedure
          example: '1'
        source:
          type: string
          description: Amended source
          example: REGISTRAR
        structure:
          $ref: '#/components/schemas/RegistryStructure'
          description: Submitted structure
        analyzeSaltFragments:
          type: boolean
          description: Configuration to analyzeSaltFragments
          example: false
        qualityChecking:
          type: boolean
          description: Configuration to qualityChecking
          example: false
        stereoCommentChecking:
          type: boolean
          description: Configuration to stereoCommentChecking
          example: false
        checkers:
          type: array
          description: Structure checkers of the registration
          items:
            $ref: '#/components/schemas/StructureCheckerSwitcher'
      required:
      - analyzeSaltFragments
      - checkers
      - lnbRef
      - lotId
      - qualityChecking
      - rejectDuplicatedIds
      - source
      - stereoCommentChecking
      - structure
      - userId
    AdditionalData:
      type: object
      properties:
        name:
          type: string
          example: Project
          xml:
            name: Name
        value:
          type: string
          example: Project A
          xml:
            name: Value
      required:
      - name
      - value
    ValidateAutoRegistrationRequests:
      type: object
      properties:
        requests:
          type: object
          additionalProperties:
            $ref: '#/components/schemas/ValidateAutoRegistrationRequest'
    RegistryStructure:
      type: object
      properties:
        structureMolfile:
          type: string
          description: In the response object it contains the structure to be displayed
          xml:
            name: StructureMolfile
        source:
          type: string
          description: Source
          example: REGISTRAR
        multiplicity:
          type: integer
          format: int32
          description: Parent multiplicity when a salt or solvate is added
          example: 1
          xml:
            name: Multiplicity
        unknownId:
          type: integer
          format: int32
          description: Unknown ID
          example: 1
          xml:
            name: UnknownId
        restricted:
          type: integer
          format: int32
          description: Restriction Level
          xml:
            name: Restricted
        cst:
          type: string
          description: Chemically Significant Text (CST)
          example: CST
          xml:
            name: CST
        components:
          type: array
          description: In case of a Multi-Component Compound it contains the list of components, otherwise it contains only the single structure
          items:
            $ref: '#/components/schemas/RegistryComponent'
          xml:
            name: Components
        saltsAndSolvates:
          type: array
          description: Salts and Solvates
          items:
            $ref: '#/components/schemas/SaltSolvate'
          xml:
            name: SaltsAndSolvates
        mwt:
          type: number
          description: Molecular Weight (used only in response)
          example: 16.043
          xml:
            name: Mwt
        overridedMwt:
          type: number
          description: Specified Molecular Weight
          xml:
            name: OverridedMwt
        mf:
          type: string
          description: Molecular Formula (used only in response)
          example: CH4
          xml:
            name: Mf
        structureType:
          type: string
          description: Structure Type
          enum:
          - SINGLE
          - MIXTURE
          - FORMULATION
          - ISOMER
          - MARKUSH
          - ALTERNATE
          - POLYMER
          - NO_STRUCTURE
          - PEPTIDE
          xml:
            name: StructureType
        uniqueStructureId:
          type: string
          description: A unique identifier of the structure comprised of the structure's internal ID and the Version Fingerprint (used only in response)
          example: '5000:1'
          xml:
            name: UniqueStructureId
        additionalData:
          type: array
          description: Additional Data
          items:
            $ref: '#/components/schemas/AdditionalData'
          xml:
            name: AdditionalDataMap
        creatorId:
          type: string
          deprecated: true
          description: The user who started the registration procedure.
          example: admin
          xml:
            name: CreatorId
        errorStructure:
          type: string
        helm:
          type: string
          description: Representation of the macromolecule compound in HELM format
          example: PEPTIDE1{Y.G.G.F.L.[am]}$$$$
          readOnly: true
      required:
      - components
      - multiplicity
      - source
      - structureType
    SubmissionStatus: {}
    RegistrationResponse:
      type: object
      properties:
        submissionId:
          type: integer
          format: int64
    RegistryResponse:
      type: object
      properties:
        ids:
          $ref: '#/components/schemas/Identifiers'
        status:
          $ref: '#/components/schemas/StatusMessage'
        alternativeIds:
          type: object
          additionalProperties:
            type: array
            items:
              type: string
    StatusMessage:
      type: object
      properties:
        status:
          $ref: '#/components/schemas/SubmissionStatus'
          xml:
            name: Status
        statusLabel:
          type: string
        message:
          type: string
          xml:
            name: Message
        ok:
          type: boolean
    SystemSwitchersWrapper:
      type: object
      properties:
        sysSwitchers:
          type: object
          additionalProperties:
            type: boolean
    ErrorMessage:
      type: object
      properties:
        errorCode:
          type: string
          enum:
          - UNKNOWN
          - UNAUTHORIZED
          - APPLICATION_ERROR
          - BAD_REQUEST
          - NOT_FOUND
        message:
          type: string
        detail:
          type: string
    StatusMessagesResponse:
      type: object
      properties:
        status:
          $ref: '#/components/schemas/SubmissionStatus'
        statusLabel:
          type: string
        message:
          type: string
        statusMessages:
          type: array
          items:
            $ref: '#/components/schemas/StatusMessage'
    ValidateManualRegistrationRequests:
      type: object
      properties:
        requests:
          type: object
          additionalProperties:
            $ref: '#/components/schemas/ValidateManualRegistrationRequest'
    ValidateManualRegistrationRequest:
      type: object
      properties:
        submissionId:
          type: integer
          format: int64
          description: Submission of the registration, in case of an already started registration
        lnbRef:
          type: string
          description: LnbRef
          example: A12345
        lotId:
          type: integer
          format: int64
          description: LotId
          example: 1
        userId:
          type: string
          description: The userId who started the procedure
          example: '1'
        structure:
          $ref: '#/components/schemas/RegistryStructure'
          description: Submitted structure
        switchers:
          type: object
          additionalProperties:
            type: boolean
          description: A map of <SystemSwitcher, Boolean> with non-default descriptions that should be applied during this registration
      required:
      - lnbRef
      - lotId
      - structure
      - switchers
      - userId
    AdvancedAutoRegisterRequest:
      type: object
      properties:
        source:
          type: string
          description: Source
          example: REGISTRAR
        lotId:
          type: integer
          format: int64
          description: Lot ID
          example: 12345
        lnbRef:
          type: string
          description: LnbRef
          example: A12345
        alternativeIdentifierTypeIds:
          type: array
          description: Alternative Identifier Type IDs
          items:
            type: integer
            format: int32
        structure:
          $ref: '#/components/schemas/RegistryStructure'
          description: Structure to be registered
        preRegistration:
          type: boolean
          description: Send submission to Staging
        drawnStructure:
          $ref: '#/components/schemas/RegistryStructure'
          description: Drawn structure
        switchers:
          type: object
          additionalProperties:
            type: boolean
          description: A map of <SystemSwitcher, Boolean> with non-default values that should be applied during this registration
        matchOptions:
          $ref: '#/components/schemas/MatchOptions'
          description: Either register as new UNIQUE structure or ACCEPT as an existing one under a specified parent
        systemSwitcherWrapper:
          $ref: '#/components/schemas/SystemSwitchersWrapper'
      required:
      - lnbRef
      - matchOptions
      - source
      - structure
      - switchers
    SaltSolvate:
      type: object
      properties:
        id:
          type: integer
          format: int64
          description: Salt ID
          example: 1
          xml:
            name: Id
        multiplicity:
          type: number
          format: double
          description: Salt multiplicity
          example: 1
          xml:
            name: Multiplicity
        isSalt:
          type: boolean
          description: True in case of salt, false in case of solvate
        name:
          type: string
          description: Salts and Solvates
          example: HCl
      required:
      - id
      - isSalt
      - multiplicity
      - name
    MatchOptions:
      type: object
      properties:
        action:
          type: string
          enum:
          - ACCEPT
          - UNIQUE
          xml:
            name: Action
        pcn:
          type: string
          example: CXN1
          xml:
            name: PCN
      required:
      - action
    AdvancedRegisterRequest:
      type: object
      properties:
        source:
          type: string
          description: Source
          example: REGISTRAR
        lotId:
          type: integer
          format: int64
          description: Lot ID
          example: 12345
        lnbRef:
          type: string
          description: LnbRef
          example: A12345
        alternativeIdentifierTypeIds:
          type: array
          description: Alternative Identifier Type IDs
          items:
            type: integer
            format: int32
        structure:
          $ref: '#/components/schemas/RegistryStructure'
          description: Structure to be registered
        preRegistration:
          type: boolean
          description: Send submission to Staging
        submissionId:
          type: integer
          format: int64
          description: Submission of the registration, in case of an already started registration
        drawnStructure:
          $ref: '#/components/schemas/RegistryStructure'
          description: Drawn structure
        switchers:
          type: object
          additionalProperties:
            type: boolean
          description: Switcher options of the registration
        checkers:
          type: array
          description: Structure checkers of the registration
          items:
            $ref: '#/components/schemas/StructureCheckerSwitcher'
      required:
      - lnbRef
      - source
      - structure
    StructureCheckerItem:
      type: object
      properties:
        structureCheckerId:
          type: string
          xml:
            name: StructureCheckerId
        structureCheckerName:
          type: string
          xml:
            name: StructureCheckerName
    Identifiers:
      type: object
      properties:
        structureId:
          type: integer
          format: int64
          xml:
            name: StructureId
        pcn:
          type: string
          xml:
            name: PCN
        cn:
          type: string
          xml:
            name: CN
        lnbRef:
          type: string
          xml:
            name: LnbRef
        lotId:
          type: integer
          format: int64
          xml:
            name: LotId
        ln:
          type: string
          xml:
            name: LN
    FixerItem:
      type: object
      properties:
        fixerClassName:
          type: string
          xml:
            name: FixerClassName
        fixerName:
          type: string
          xml:
            name: FixerName
    StatusMessagesResponses:
      type: object
      properties:
        statusMessages:
          type: object
          additionalProperties:
            $ref: '#/components/schemas/StatusMessagesResponse'
    StructureCheckerSwitcher:
      type: object
      properties:
        structureChecker:
          $ref: '#/components/schemas/StructureCheckerItem'
          xml:
            name: StructureChecker
        fixMode:
          type: string
          enum:
          - ASK
          - FIX
          - DO_NOT_FIX
          xml:
            name: FixMode
        fixer:
          $ref: '#/components/schemas/FixerItem'
          xml:
            name: SelectedFixer
        fixerOptions:
          type: array
          items:
            $ref: '#/components/schemas/FixerItem'
          xml:
            name: FixerOptions
x-refined-from:
- chemaxon-compound-registration-openapi.json
- chemaxon-compound-registration-openapi.yml