Chemaxon Checker Fixer API

The Checker Fixer API from Chemaxon — 3 operation(s) for checker fixer.

GitHub OpenAPI

Operations 3

POST /rest-v1/checker-fixer/ Check and fix molecule #
POST /rest-v1/checker-fixer/stored/{presetName} Check and fix with stored preset #
POST /rest-v1/checker-fixer/xml-based Check and fix with XML config #

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OpenAPI Specification

chemaxon-checker-fixer-api-openapi.yml Raw ↑
openapi: 3.2.0
info:
  title: Chemaxon Checker Fixer API
  version: 26.1.3
  description: 'Operations tagged Checker Fixer across 2 of this provider''s published API definitions: chemaxon-structure-checker-openapi.json, chemaxon-structure-checker-openapi.yml. Each path carries the servers of the definition it was published in.'
servers:
- url: https://jchem-microservices.chemaxon.com/jws-checker-fixer
tags:
- name: Checker Fixer
paths:
  /rest-v1/checker-fixer/:
    post:
      description: Check multiple checker on a molecule with their fix if fixer is provided
      operationId: checkMultiple
      requestBody:
        content:
          application/json:
            schema:
              $ref: '#/components/schemas/CompositeCheckerFixerRequest'
        required: true
      responses:
        '200':
          content:
            application/json:
              schema:
                $ref: '#/components/schemas/CompositeCheckerFixerResponse'
          description: OK
      summary: Check and fix molecule
      tags:
      - Checker Fixer
    servers:
    - url: https://jchem-microservices.chemaxon.com/jws-checker-fixer
  /rest-v1/checker-fixer/stored/{presetName}:
    post:
      description: Check multiple checker on a molecule with stored checker-fixer setting
      operationId: check
      parameters:
      - description: name of the checker-fixer setting
        in: path
        name: presetName
        required: true
        schema:
          type: string
          default: exampleJSON
      requestBody:
        content:
          application/json:
            schema:
              $ref: '#/components/schemas/PresetRequest'
        required: true
      responses:
        '200':
          content:
            application/json:
              schema:
                $ref: '#/components/schemas/CompositeCheckerFixerResponse'
          description: OK
      summary: Check and fix with stored preset
      tags:
      - Checker Fixer
    servers:
    - url: https://jchem-microservices.chemaxon.com/jws-checker-fixer
  /rest-v1/checker-fixer/xml-based:
    post:
      description: Check multiple checker on a molecule with provided checker-fixer xml
      operationId: xmlBasedCheck
      requestBody:
        content:
          application/json:
            schema:
              $ref: '#/components/schemas/XmlBasedCheckerFixerRequest'
        required: true
      responses:
        '200':
          content:
            application/json:
              schema:
                $ref: '#/components/schemas/CompositeCheckerFixerResponse'
          description: OK
      summary: Check and fix with XML config
      tags:
      - Checker Fixer
    servers:
    - url: https://jchem-microservices.chemaxon.com/jws-checker-fixer
components:
  schemas:
    CheckerFixerResponse:
      properties:
        fixState:
          type: string
          enum:
          - FIXED
          - NOT_FIXED
          - SKIPPED
        fixerDescription:
          type: string
        fixerName:
          type: string
        result:
          type: string
    CheckerFixerStructure:
      description: Represents a structure
      properties:
        format:
          type: string
          description: (Optional) Format of the structure. If not set, a recognizer will try to detect it
          example: smiles
        source:
          type: string
          description: Text representation of the structure
          example: c1ccccc1CC(N)C
        uniqueId:
          type: string
          description: (Optional) The unique ID of the structure
          example: ''
    CompositeCheckerFixerResponse:
      properties:
        result:
          type: string
        steps:
          type: array
          items:
            $ref: '#/components/schemas/CheckerFixerResponse'
    CheckerFixerFilter:
      description: Setting filters
      properties:
        fixed:
          type: boolean
          default: false
          description: If true, fixed checker-fixer pairs will be filtered out from the response
        untriggered:
          type: boolean
          default: false
          description: If true, untriggered checker-fixer pairs will be filtered out from the response
    PresetRequest:
      properties:
        exportFormat:
          type: string
          description: The output format and options
          example: mrv
        filter:
          $ref: '#/components/schemas/CheckerFixerFilter'
        structure:
          $ref: '#/components/schemas/CheckerFixerStructure'
    GeneralCheckerSettings:
      properties:
        checkerClass:
          type: string
          description: 'The class that will be used for structure checking.

            If the package name is not specified, it will be assumed to be "chemaxon.checkers".'
          example: MissingAtomMapChecker
        displayName:
          type: string
          description: The identifier of the structure checker
          example: MyStructureChecker
        properties:
          type: object
          additionalProperties:
            type: object
    CheckerFixerSettings:
      properties:
        checkerSettings:
          $ref: '#/components/schemas/GeneralCheckerSettings'
        fixerSettings:
          $ref: '#/components/schemas/FixerSettings'
      required:
      - checkerSettings
    CompositeCheckerFixerRequest:
      description: Multiple structure checker and fixer pairs can be used on structure
      properties:
        exportFormat:
          type: string
          description: The output format and options
          example: mrv
        filter:
          $ref: '#/components/schemas/CheckerFixerFilter'
        settings:
          type: array
          items:
            $ref: '#/components/schemas/CheckerFixerSettings'
        structure:
          $ref: '#/components/schemas/CheckerFixerStructure'
    FixerSettings:
      properties:
        displayName:
          type: string
          description: The identifier of the structure fixer
          example: MyStructureFixer
        exportFormat:
          type: string
          description: The format which the result molecule will be exported to
          example: mrv
        fixerClass:
          type: string
          description: 'The class that will be used for structure fixing.

            If the package name is not specified, it will be assumed to be "chemaxon.fixers".'
          example: MapMoleculeFixer
    XmlBasedCheckerFixerRequest:
      description: Checker request with XML-based configuration
      properties:
        checkerSettings:
          type: string
          description: Structure checker config XML
          example: "<?xml version=\"1.0\" encoding=\"UTF-8\"?>\n<checkers>\n  <AbbreviatedGroupChecker contracted=\"true\" excluded=\"\" expanded=\"true\" fixMode=\"fix\" fixerClassName=\"chemaxon.fixers.ContractGroupFixer\"/>\n</checkers>"
        exportFormat:
          type: string
          description: The output format and options
          example: mrv
        filter:
          $ref: '#/components/schemas/CheckerFixerFilter'
        structure:
          $ref: '#/components/schemas/CheckerFixerStructure'
x-refined-from:
- chemaxon-structure-checker-openapi.json
- chemaxon-structure-checker-openapi.yml