ChemIdConvert/openapi-test2.json at master · DouglasConnect/ChemIdConvert · GitHub

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{ "@context": {
  "x-orn": "http://openrisknet.org/schema/",
    "x-orn-@id": "@id",
    "x-orn-@type":"@type",
    "title": "x-orn:title",
    "info": "x-orn:info",
    "paths":
      { "@id": "x-orn:paths",
        "@container": "@index"
       },
    "description": "x-orn:description",
    "get": "x-orn:Get",
    "smiles": "x-orn:Smiles",
    "parameters": "x-orn:OperationParameters",
    "responses":
      {"@id": "x-orn:OperationResponses",
                "@container": "@index"
      },
    "properties": "x-orn:Properties",
    "content":
      {"@id": "x-orn:Content",
       "@container": "@index"
      },
    "schema": "x-orn:Schema"
  },
  "openapi": "3.0.0",
  "x-orn-@id": "https://chemidconvert/v2",
  "x-orn-@type": "x-orn:Service",
  "servers": [
    {
      "url": "https://chemidconvert/v2"
    }
  ],
  "info": {
    "title": "ChemIdConvert - Chemical identifier conversion service",
    "description": "This REST Api allows you to submit chemical identifiers in one format and translate it into another format (e.g. SMILES -> InChi)",
    "version": "1.0.0"
  },
  "paths": {
    "/molWeight": {
      "x-orn-@id": "https://chemidconvert/v2/molWeight",
      "x-orn-@type": "x-orn:Prediction",
      "x-orn:expects": {
        "x-orn-@id": "x-orn:Compound"
      },
      "x-orn:returns": {
        "x-orn-@id": "x-orn:molecularMass"
      },
      "get": {
        "summary": "Returns the molecular weight (calculated with rdkit)",
        "parameters": [
          {
            "name": "smiles",
            "x-orn-@type": "x-orn:Smiles",
            "in": "query",
            "description": "Compound structure notated using SMILES notation",
            "required": true,
            "schema": {
              "type": "string"
            }
          }
        ],
        "responses": {
          "200": {
            "description": "The molecular weight (caluclated with rdkit)",
            "content": {
              "application/json": {
                "schema": {
                  "type": "object",
                  "x-orn-@context": "https://chemidconvert/v2/context.json",
                  "x-orn-@type": "x-orn:Prediction",
                  "properties": {
                    "smiles": {
                      "x-orn-@type": "x-orn:Smiles",
                      "type": "string",
                      "description": "Compound structure notated using (canonical) SMILES notation"
                    },
                    "molWeight": {
                      "x-orn-@type": "x-orn:Prediction",
                      "type": "number",
                      "description": "The molecular weight (caluclated with rdkit)"
                    }
                  }
                }
              }
            }
          },
          "default": {
            "description": "Unexpected error",
            "content": {
              "application/json": {
                "schema": {
                  "type": "string"
                }
              }
            }
          }
        }
      }
    },
    "/smiles/to/inchi": {
      "x-orn-@id": "https://chemidconvert/v2/smiles/to/inchi",
      "x-orn-@type": "x-orn:Conversion",
      "x-orn:expects": {
        "x-orn-@id": "x-orn:Compound"
      },
      "x-orn:returns": {
        "x-orn-@id": "x-orn:Compound"
      },
      "get": {
        "summary": "Converts from a SMILES format into InChI format",
        "description": "Converts from a SMILES format into InChI format. Only a single match is returned if there is an ambiguity in the conversion. The conversion is performed in process via rdkit.\n",
        "tags": [
          "SMILES, InChI"
        ],
        "parameters": [
          {
            "name": "smiles",
            "in": "query",
            "description": "Compound structure notated using SMILES notation",
            "required": true,
            "x-orn-@type": "x-orn:Smiles",
            "schema": {
              "type": "string",
              "format": "smiles"
            }
          }
        ],
        "responses": {
          "200": {
            "description": "The converted InChI string",
            "content": {
              "application/json": {
                "schema": {
                  "x-orn-@context": "https://chemidconvert/v2/context.json",
                  "x-orn-@type": "x-orn:Conversion",
                  "type": "object",
                  "properties": {
                    "inchi": {
                      "x-orn-@type": "x-orn:Inchi",
                      "type": "string",
                      "description": "Compound structure notated using InChI notation"
                    }
                  }
                }
              }
            }
          },
          "400": {
            "description": "Invalid request (typically a mandatory parameter was missing or malformed)",
            "content": {
              "application/json": {
                "schema": {
                  "type": "string"
                }
              }
            }
          },
          "default": {
            "description": "Unexpected error",
            "content": {
              "application/json": {
                "schema": {
                  "type": "string"
                }
              }
            }
          }
        }
      }
    }
  }
}