Benchling Solvent API

openapi: 3.2.0
info:
  license:
    name: Apache 2.0
    url: http://www.apache.org/licenses/LICENSE-2.0.html
  title: Benchling Solvent API
  version: 2.0.0
  description: 'A Solvent is a compound in which solvent molecules are incorporated into the crystal lattice,

    used to represent the solvent form of a chemical compound in a tenant''s solvent library.

    Solvents are referenced when creating molecules to describe the final form of a compound.

    Each solvent has a required SMILES from which the molecular formula is derived.'
servers:
- url: /api/v3
security:
- oAuth: []
- basicApiKeyAuth: []
tags:
- description: 'A Solvent is a compound in which solvent molecules are incorporated into the crystal lattice,

    used to represent the solvent form of a chemical compound in a tenant''s solvent library.

    Solvents are referenced when creating molecules to describe the final form of a compound.

    Each solvent has a required SMILES from which the molecular formula is derived.'
  name: Solvent
  x-bnch-organization: Benchling
  x-displayName: Solvent
paths:
  /solvent:
    post:
      description: 'Create a solvent in the tenant''s solvent library.


        Salts and solvents require the salt/solvent forms feature to be enabled on your tenant; contact your Benchling representative to turn it on. Creating a solvent requires tenant admin permissions. The solvent structure is immutable after creation. The combined salt and solvent library is limited to 2000 non-archived items, and each structure is limited to 50 atoms. An optional `code` must be unique (case-insensitive) across all salts and solvents in the tenant. Within the solvent library, names must be unique (case-insensitive) and each structure may appear only once; a salt may reuse a solvent''s name or structure. Archived solvents still reserve their name and structure, so an archived match must be unarchived rather than recreated.'
      operationId: Solvent.Create
      parameters:
      - description: Set to true to access beta operations via /api/v3.
        in: header
        name: EARLY-ACCESS
        required: false
        schema:
          type: string
      requestBody:
        content:
          application/json:
            schema:
              $ref: '#/components/schemas/CreateSolventInput'
      responses:
        '201':
          content:
            application/json:
              schema:
                $ref: '#/components/schemas/Solvent'
          description: Created
        '400':
          $ref: '#/components/responses/BadRequest'
        '403':
          $ref: '#/components/responses/Forbidden'
        '404':
          $ref: '#/components/responses/NotFound'
        '409':
          $ref: '#/components/responses/Conflict'
        '429':
          $ref: '#/components/responses/TooManyRequests'
        '500':
          $ref: '#/components/responses/InternalServerError'
      summary: Create Solvent
      tags:
      - Solvent
  /solvent/items:
    get:
      description: List Solvent items.
      operationId: Solvent.List
      parameters:
      - $ref: '#/components/parameters/archiveReason.anyOf'
      - $ref: '#/components/parameters/archived.anyOf'
      - $ref: '#/components/parameters/createdAt.gt'
      - $ref: '#/components/parameters/createdAt.gte'
      - $ref: '#/components/parameters/createdAt.lt'
      - $ref: '#/components/parameters/createdAt.lte'
      - $ref: '#/components/parameters/id.anyOf'
      - $ref: '#/components/parameters/modifiedAt.gt'
      - $ref: '#/components/parameters/modifiedAt.gte'
      - $ref: '#/components/parameters/modifiedAt.lt'
      - $ref: '#/components/parameters/modifiedAt.lte'
      - $ref: '#/components/parameters/name.anyOf'
      - $ref: '#/components/parameters/name.anyOf.caseSensitive'
      - $ref: '#/components/parameters/nextToken'
      - $ref: '#/components/parameters/omit'
      - $ref: '#/components/parameters/pageSize'
      - $ref: '#/components/parameters/returning'
      - description: 'Method by which to order results. Valid sorts are: createdAt (created time, oldest first) and modifiedAt (modified time, oldest first). Use :asc or :desc to specify ascending or descending order. Default is modifiedAt:desc.'
        in: query
        name: sort
        schema:
          default: modifiedAt:desc
          enum:
          - createdAt:asc
          - createdAt:desc
          - modifiedAt:asc
          - modifiedAt:desc
          type: string
      - description: Set to true to access beta operations via /api/v3.
        in: header
        name: EARLY-ACCESS
        required: false
        schema:
          type: string
      responses:
        '200':
          content:
            application/json:
              schema:
                $ref: '#/components/schemas/SolventPaginatedList'
          description: OK
          headers: {}
        '400':
          $ref: '#/components/responses/BadRequest'
        '403':
          $ref: '#/components/responses/Forbidden'
        '404':
          $ref: '#/components/responses/NotFound'
        '429':
          $ref: '#/components/responses/TooManyRequests'
        '500':
          $ref: '#/components/responses/InternalServerError'
      summary: List Solvent items
      tags:
      - Solvent
  /solvent/{solvent_id}:
    get:
      description: Get a single Solvent by ID.
      operationId: Solvent.Get
      parameters:
      - description: ID of the Solvent.
        in: path
        name: solvent_id
        required: true
        schema:
          type: string
      - $ref: '#/components/parameters/returning'
      - $ref: '#/components/parameters/omit'
      - description: Set to true to access beta operations via /api/v3.
        in: header
        name: EARLY-ACCESS
        required: false
        schema:
          type: string
      responses:
        '200':
          content:
            application/json:
              schema:
                $ref: '#/components/schemas/Solvent'
          description: OK
          headers: {}
        '400':
          $ref: '#/components/responses/BadRequest'
        '403':
          $ref: '#/components/responses/Forbidden'
        '404':
          $ref: '#/components/responses/NotFound'
        '429':
          $ref: '#/components/responses/TooManyRequests'
        '500':
          $ref: '#/components/responses/InternalServerError'
      summary: Get Solvent by ID
      tags:
      - Solvent
    patch:
      description: Update a solvent's name or code, or archive/unarchive it via the `archived` field. The solvent structure is immutable and cannot be changed after creation. A new name must be unique (case-insensitive) within the solvent library.
      operationId: Solvent.Update
      parameters:
      - description: ID of the Solvent.
        in: path
        name: solvent_id
        required: true
        schema:
          type: string
      - description: Set to true to access beta operations via /api/v3.
        in: header
        name: EARLY-ACCESS
        required: false
        schema:
          type: string
      requestBody:
        content:
          application/json:
            schema:
              $ref: '#/components/schemas/UpdateSolventInput'
      responses:
        '200':
          content:
            application/json:
              schema:
                $ref: '#/components/schemas/Solvent'
          description: OK
        '400':
          $ref: '#/components/responses/BadRequest'
        '403':
          $ref: '#/components/responses/Forbidden'
        '404':
          $ref: '#/components/responses/NotFound'
        '409':
          $ref: '#/components/responses/Conflict'
        '429':
          $ref: '#/components/responses/TooManyRequests'
        '500':
          $ref: '#/components/responses/InternalServerError'
      summary: Update Solvent
      tags:
      - Solvent
  /solvent:batch-create:
    post:
      description: Batch create Solvent synchronously in one transaction. Maximum 4 items per request.
      operationId: Solvent.BatchCreate
      parameters:
      - description: Set to true to access beta operations via /api/v3.
        in: header
        name: EARLY-ACCESS
        required: false
        schema:
          type: string
      requestBody:
        content:
          application/json:
            schema:
              additionalProperties: false
              properties:
                items:
                  items:
                    $ref: '#/components/schemas/CreateSolventInput'
                  maxItems: 4
                  minItems: 1
                  type: array
              required:
              - items
              type: object
      responses:
        '201':
          content:
            application/json:
              schema:
                additionalProperties: false
                properties:
                  items:
                    items:
                      $ref: '#/components/schemas/Solvent'
                    type: array
                required:
                - items
                type: object
          description: Created
        '400':
          $ref: '#/components/responses/BadRequest'
        '403':
          $ref: '#/components/responses/Forbidden'
        '404':
          $ref: '#/components/responses/NotFound'
        '409':
          $ref: '#/components/responses/Conflict'
        '429':
          $ref: '#/components/responses/TooManyRequests'
        '500':
          $ref: '#/components/responses/InternalServerError'
      summary: Batch create Solvent
      tags:
      - Solvent
  /solvent:batch-update:
    patch:
      description: Batch update Solvent synchronously in one transaction. Maximum 25 items per request.
      operationId: Solvent.BatchUpdate
      parameters:
      - description: Set to true to access beta operations via /api/v3.
        in: header
        name: EARLY-ACCESS
        required: false
        schema:
          type: string
      requestBody:
        content:
          application/json:
            schema:
              additionalProperties: false
              properties:
                items:
                  items:
                    $ref: '#/components/schemas/UpdateSolventInputWithPathParams'
                  maxItems: 25
                  minItems: 1
                  type: array
              required:
              - items
              type: object
      responses:
        '200':
          content:
            application/json:
              schema:
                additionalProperties: false
                properties:
                  items:
                    items:
                      $ref: '#/components/schemas/Solvent'
                    type: array
                required:
                - items
                type: object
          description: OK
        '400':
          $ref: '#/components/responses/BadRequest'
        '403':
          $ref: '#/components/responses/Forbidden'
        '404':
          $ref: '#/components/responses/NotFound'
        '409':
          $ref: '#/components/responses/Conflict'
        '429':
          $ref: '#/components/responses/TooManyRequests'
        '500':
          $ref: '#/components/responses/InternalServerError'
      summary: Batch update Solvent
      tags:
      - Solvent
  /solvent:bulk-create:
    post:
      description: 'Create multiple solvents in a single request.


        Salts and solvents require the salt/solvent forms feature to be enabled on your tenant; contact your Benchling representative to turn it on. Creating a solvent requires tenant admin permissions. The solvent structure is immutable after creation. The combined salt and solvent library is limited to 2000 non-archived items, and each structure is limited to 50 atoms. An optional `code` must be unique (case-insensitive) across all salts and solvents in the tenant. Within the solvent library, names must be unique (case-insensitive) and each structure may appear only once; a salt may reuse a solvent''s name or structure. Archived solvents still reserve their name and structure, so an archived match must be unarchived rather than recreated.'
      operationId: Solvent.BulkCreate
      parameters:
      - description: Set to true to access beta operations via /api/v3.
        in: header
        name: EARLY-ACCESS
        required: false
        schema:
          type: string
      requestBody:
        content:
          application/json:
            schema:
              $ref: '#/components/schemas/BulkImport'
      responses:
        '202':
          content:
            application/json:
              schema:
                $ref: '#/components/schemas/AsyncTaskLink'
          description: Task started
        '400':
          $ref: '#/components/responses/BadRequest'
        '403':
          $ref: '#/components/responses/Forbidden'
        '404':
          $ref: '#/components/responses/NotFound'
        '409':
          $ref: '#/components/responses/Conflict'
        '429':
          $ref: '#/components/responses/TooManyRequests'
        '500':
          $ref: '#/components/responses/InternalServerError'
      summary: Bulk create Solvent
      tags:
      - Solvent
  /solvent:bulk-update:
    patch:
      description: Bulk update Solvent.
      operationId: Solvent.BulkUpdate
      parameters:
      - description: Set to true to access beta operations via /api/v3.
        in: header
        name: EARLY-ACCESS
        required: false
        schema:
          type: string
      requestBody:
        content:
          application/json:
            schema:
              $ref: '#/components/schemas/BulkImport'
      responses:
        '202':
          content:
            application/json:
              schema:
                $ref: '#/components/schemas/AsyncTaskLink'
          description: Task started
        '400':
          $ref: '#/components/responses/BadRequest'
        '403':
          $ref: '#/components/responses/Forbidden'
        '404':
          $ref: '#/components/responses/NotFound'
        '409':
          $ref: '#/components/responses/Conflict'
        '429':
          $ref: '#/components/responses/TooManyRequests'
        '500':
          $ref: '#/components/responses/InternalServerError'
      summary: Bulk update Solvent
      tags:
      - Solvent
components:
  schemas:
    SolventPaginatedList:
      additionalProperties: false
      properties:
        items:
          items:
            $ref: '#/components/schemas/Solvent'
          type: array
        nextToken:
          type:
          - string
          - 'null'
      type: object
    GeneralError:
      properties:
        detail:
          type:
          - 'null'
          - string
          - object
        instance:
          type: string
        invalidId:
          type: string
        status:
          type: integer
        title:
          type:
          - 'null'
          - string
        type:
          type: string
      required:
      - type
      - title
      - detail
      - status
      - instance
      type: object
    CreateSolventInput:
      additionalProperties: false
      example:
        code: H2O
        name: Water
        smiles: O
      properties:
        code:
          description: Optional configurable identifier for this solvent (e.g., "H2O"). Must be unique (case-insensitive) across all salts and solvents in the tenant.
          type:
          - 'null'
          - string
        name:
          description: The name of the solvent. Must be unique (case-insensitive) within the solvent library.
          type: string
        smiles:
          description: The SMILES of the solvent's neutral form. The canonical SMILES and molecular formula are derived from it. Immutable after creation.
          type: string
      required:
      - name
      - smiles
      type: object
    TooManyRequestsError:
      properties:
        detail:
          type:
          - 'null'
          - string
          - object
        instance:
          type: string
        invalidId:
          type: string
        status:
          type: integer
        title:
          type:
          - 'null'
          - string
        type:
          type: string
      required:
      - type
      - title
      - detail
      - status
      - instance
      type: object
    Solvent:
      description: 'A Solvent is a compound in which solvent molecules are incorporated into the crystal lattice,

        used to represent the solvent form of a chemical compound in a tenant''s solvent library.

        Solvents are referenced when creating molecules to describe the final form of a compound.

        Each solvent has a required SMILES from which the molecular formula is derived.'
      properties:
        __typename:
          type: string
        archiveReason:
          type:
          - 'null'
          - string
        archived:
          type: boolean
        calculatedMolecularWeight:
          description: The molecular weight of the solvent.
          type:
          - 'null'
          - number
        canonicalSmiles:
          description: The SMILES representation of the solvent after standardization.
          type: string
        code:
          description: 'Optional company-specific identifier for this solvent (e.g., "MH", "DH"). Unique across

            both salts and solvents within a tenant.'
          type:
          - 'null'
          - string
        createdAt:
          format: datetime
          type: string
        id:
          type: string
        modifiedAt:
          format: datetime
          type: string
        molecularFormula:
          description: The molecular formula (e.g., "H2O").
          type: string
        molfile:
          description: The molfile representation of the solvent.
          type: string
        name:
          type: string
      type: object
    UpdateSolventInput:
      additionalProperties: false
      example:
        code: H2O
        name: Water
      properties:
        archiveReason:
          type: string
        archived:
          type: boolean
        code:
          description: Configurable identifier for this solvent. Must be unique (case-insensitive) across all salts and solvents in the tenant.
          type:
          - 'null'
          - string
        name:
          description: The name of the solvent. Must be unique (case-insensitive) within the solvent library.
          type: string
      type: object
    UpdateSolventInputWithPathParams:
      additionalProperties: false
      example:
        code: H2O
        id: slvt_Xk9mLpQr
        name: Water
      properties:
        archiveReason:
          type: string
        archived:
          type: boolean
        code:
          description: Configurable identifier for this solvent. Must be unique (case-insensitive) across all salts and solvents in the tenant.
          type:
          - 'null'
          - string
        id:
          type: string
        name:
          description: The name of the solvent. Must be unique (case-insensitive) within the solvent library.
          type: string
      required:
      - id
      type: object
    AsyncTaskLink:
      properties:
        pollingUri:
          format: uri
          type: string
        taskId:
          type: string
      type: object
    BulkImport:
      example:
        fileId: scrfile_jdf8BV24kLmN
      properties:
        fileId:
          description: The API ID of the scratch file (`scrfile_XXXXXXXX`) containing the items to import. The referenced file must be a scratch file whose upload has completed successfully.
          type: string
      required:
      - fileId
      type: object
    InternalServerError:
      properties:
        detail:
          type:
          - 'null'
          - string
          - object
        errorId:
          type: string
        instance:
          type: string
        status:
          type: integer
        title:
          type:
          - 'null'
          - string
        type:
          type: string
      required:
      - type
      - title
      - detail
      - status
      - instance
      type: object
  responses:
    InternalServerError:
      content:
        application/problem+json:
          schema:
            $ref: '#/components/schemas/InternalServerError'
      description: Internal Server Error
    BadRequest:
      content:
        application/problem+json:
          schema:
            $ref: '#/components/schemas/GeneralError'
      description: Bad Request
    NotFound:
      content:
        application/problem+json:
          schema:
            $ref: '#/components/schemas/GeneralError'
      description: Not Found
    Forbidden:
      content:
        application/problem+json:
          schema:
            $ref: '#/components/schemas/GeneralError'
      description: Forbidden
    Conflict:
      content:
        application/problem+json:
          schema:
            $ref: '#/components/schemas/GeneralError'
      description: Conflict
    TooManyRequests:
      content:
        application/problem+json:
          schema:
            $ref: '#/components/schemas/TooManyRequestsError'
      description: Too Many Requests
      headers:
        Retry-After:
          description: Minimum number of seconds to wait before retrying. Only included when the request exceeded a rate limit specific to the caller. Limits shared with other callers, such as tenant-wide limits, omit this header because the wait depends on their traffic.
          required: false
          schema:
            minimum: 1
            type: integer
  parameters:
    modifiedAt.gte:
      description: Datetime, in RFC 3339 format. Time zone defaults to UTC. Restricts results to those modified at or after the specified time. e.g. >= 2017-04-30.
      in: query
      name: modifiedAt.gte
      schema:
        format: datetime
        type: string
    createdAt.lte:
      description: Datetime, in RFC 3339 format. Time zone defaults to UTC. Restricts results to those created at or before the specified time. e.g. <= 2017-04-30.
      in: query
      name: createdAt.lte
      schema:
        format: datetime
        type: string
    omit:
      description: Comma-separated list of top-level fields to omit from each returned item. Cannot overlap with returning.
      explode: false
      in: query
      name: omit
      schema:
        items:
          type: string
        type: array
    modifiedAt.lte:
      description: Datetime, in RFC 3339 format. Time zone defaults to UTC. Restricts results to those modified at or before the specified time. e.g. <= 2017-04-30.
      in: query
      name: modifiedAt.lte
      schema:
        format: datetime
        type: string
    name.anyOf:
      description: Restricts results to those that match any of the specified names. Case insensitive. Warning - this filter can be non-performant due to case insensitivity. Ensure only one name filter is used at a time. Comma-separated list.
      explode: false
      in: query
      name: name.anyOf
      schema:
        items:
          type: string
        maxItems: 100
        type: array
    createdAt.gt:
      description: Datetime, in RFC 3339 format. Time zone defaults to UTC. Restricts results to those created after the specified time. e.g. > 2017-04-30.
      in: query
      name: createdAt.gt
      schema:
        format: datetime
        type: string
    nextToken:
      description: Token for pagination
      in: query
      name: nextToken
      schema:
        type: string
    name.anyOf.caseSensitive:
      description: Restricts results to those that match any of the specified names. Case sensitive. Ensure only one name filter is used at a time. Comma-separated list.
      explode: false
      in: query
      name: name.anyOf.caseSensitive
      schema:
        items:
          type: string
        maxItems: 100
        type: array
    archived.anyOf:
      description: If true, returns archived items. If false, returns unarchived items. If both true and false, returns archived and unarchived items. Comma-separated list.
      explode: false
      in: query
      name: archived.anyOf
      schema:
        items:
          type: boolean
        maxItems: 2
        type: array
    modifiedAt.gt:
      description: Datetime, in RFC 3339 format. Time zone defaults to UTC. Restricts results to those modified after the specified time. e.g. > 2017-04-30.
      in: query
      name: modifiedAt.gt
      schema:
        format: datetime
        type: string
    pageSize:
      description: Number of results to return. Defaults to 50, maximum of 100.
      in: query
      name: pageSize
      schema:
        type: integer
    modifiedAt.lt:
      description: Datetime, in RFC 3339 format. Time zone defaults to UTC. Restricts results to those modified before the specified time. e.g. < 2017-04-30.
      in: query
      name: modifiedAt.lt
      schema:
        format: datetime
        type: string
    returning:
      description: Comma-separated list of top-level fields to include in each returned item. Cannot overlap with omit.
      explode: false
      in: query
      name: returning
      schema:
        items:
          type: string
        type: array
    createdAt.gte:
      description: Datetime, in RFC 3339 format. Time zone defaults to UTC. Restricts results to those created at or after the specified time. e.g. >= 2017-04-30.
      in: query
      name: createdAt.gte
      schema:
        format: datetime
        type: string
    archiveReason.anyOf:
      description: Restricts items to those with any of the specified archive reasons. Use "NOT_ARCHIVED" to filter for unarchived items. Use "ANY_ARCHIVED" to filter for archived items regardless of reason. Use "ANY_ARCHIVED_OR_NOT_ARCHIVED" to return items for both archived and unarchived. Comma-separated list.
      explode: false
      in: query
      name: archiveReason.anyOf
      schema:
        items:
          type: string
        maxItems: 10
        type: array
    createdAt.lt:
      description: Datetime, in RFC 3339 format. Time zone defaults to UTC. Restricts results to those created before the specified time. e.g. < 2017-04-30.
      in: query
      name: createdAt.lt
      schema:
        format: datetime
        type: string
    id.anyOf:
      description: Restricts results to those matching any of the specified IDs. Comma-separated list.
      explode: false
      in: query
      name: id.anyOf
      schema:
        items:
          type: string
        maxItems: 100
        type: array
  securitySchemes:
    BearerAuth:
      description: Use a short-lived V3 API Explorer token.
      scheme: bearer
      type: http
      x-fern-playground-description: Copy a short-lived V3 API Explorer token from the user's settings page
    basicApiKeyAuth:
      description: Use issued API key for standard access to the API
      scheme: basic
      type: http
    basicClientIdSecretAuth:
      description: Auth used as part of client credentials OAuth flow prior to receiving a bearer token.
      scheme: basic
      type: http
    oAuth:
      description: OAuth2 Client Credentials flow intended for service access
      flows:
        clientCredentials:
          scopes: {}
          tokenUrl: /oauth/token
      type: oauth2