Chemaxon Color substructure hits API

openapi: 3.2.0
info:
  title: Chemaxon Color substructure hits API
  version: 26.1.3
  description: 'Operations tagged Color substructure hits across 2 of this provider''s published API definitions: chemaxon-database-search-openapi.json, chemaxon-database-search-openapi.yml. Each path carries the servers of the definition it was published in.'
servers:
- url: https://jchem-microservices.chemaxon.com/jwsdb
tags:
- description: Endpoint to color substructure hits in molecules
  name: Color substructure hits
paths:
  /rest-v1/db/highlight:
    post:
      operationId: highlight
      requestBody:
        content:
          application/json:
            schema:
              $ref: '#/components/schemas/HitDisplayRequest'
        required: true
      responses:
        '200':
          content:
            application/json:
              schema:
                $ref: '#/components/schemas/HitDisplayResponse'
          description: Success.
      summary: Call this endpoint to color a query structure in a target structure with…
      tags:
      - Color substructure hits
    servers:
    - url: https://jchem-microservices.chemaxon.com/jwsdb
components:
  schemas:
    QueryTransformations:
      description: Collection of settable query transformations
      properties:
        ignoreCharge:
          type: boolean
          default: false
          description: 'Ignore charge comparison during querying. Default: false'
        ignoreIsotope:
          type: boolean
          default: false
          description: 'Ignore isotope comparison during querying. Default: false'
        stereoSearchIgnoreTetrahedralStereo:
          type: boolean
          default: false
          description: 'Ignore tetrahedral stereo comparison during querying. Default: false'
        stereoSearchOnMarkedDoubleBondOnly:
          type: boolean
          default: false
          description: 'Only execute stereo search on double bonds marked for querying. Default: false'
    HitDisplaySettings:
      description: The setup of how to visualize query in target
      properties:
        alignmentMode:
          type: string
          default: 'OFF'
          description: "Describes the mode of aligning the query and the target. Default: OFF\nValues: \n* OFF: the structure is displayed with the original coordinates\n* ROTATE: the structure is rotated according to the substructure\n* PARTIAL_CLEAN: The substructure part of the target will get the exact coordinates of the query, and new coordinates will be generated for the remainder of the structure."
          enum:
          - 'OFF'
          - ROTATE
          - PARTIAL_CLEAN
        hitColor:
          $ref: '#/components/schemas/HitColor'
        nonHitColor:
          $ref: '#/components/schemas/NonHitColor'
    HitDisplayResponse:
      properties:
        highlightedMolecule:
          type: string
        mapping:
          type: array
          items:
            $ref: '#/components/schemas/QueryTargetAtomMapping'
    HitDisplayRequest:
      description: pair of query and target structure with the requested hitdisplay settings
      properties:
        displaySettings:
          $ref: '#/components/schemas/HitDisplaySettings'
        moleculeType:
          type: string
          description: the molecule type that determines the search logic
          example: sample
          minLength: 1
        outputFormat:
          type: string
          default: mrv
          description: The output format and options.
        queryFormat:
          type: string
          description: the optional import format and opts for query structure
          example: cxsmarts
        queryStructure:
          type: string
          description: the query structure to find in target
          example: '[#6][#6](=,:[#6])-[#6]'
          minLength: 1
        targetFormat:
          type: string
          description: the optional import format and options of target structure
          example: smiles
        targetStructure:
          type: string
          description: the target structure we are checking the query in
          example: CC(N)CC1=CC=CC=C1
          minLength: 1
        transformations:
          $ref: '#/components/schemas/QueryTransformations'
      required:
      - moleculeType
      - queryStructure
      - targetStructure
    HitColor:
      default: blue
      description: 'Color of hit in molecule. Default: "blue".


        Json object to describe a color. All ways supported by java.awt.Color is possible.

        Preferred hexa String like "0xff0000" for RED. Or an int array like [0,255,0] for GREEN.

        Or an object: {"red":0, "green":0, "blue":255 } for blue.

        Even compressed integers where the bits 16-23 are red, 8-15 are green and 0-7 are blue are parsed.

        You can use one of the following stored names: "black", "blue", "cyan", "dark_gray", "gray", "green", "light_gray", "magenta", "orange, "pink", "red", "white", "yellow".

        Or color names that were set to JVM as system property.

        '
    QueryTargetAtomMapping:
      properties:
        queryAtomIndex:
          type: integer
          format: int32
          example: 10
        targetAtomIndex:
          type: integer
          format: int32
          example: 25
    NonHitColor:
      default: black
      description: 'Color of non-hit in molecule. Default: "black".


        The same options are supported as in case of "hitColor".

        '
x-refined-from:
- chemaxon-database-search-openapi.json
- chemaxon-database-search-openapi.yml