APIСправочник API
Валидация реакции
POST /v1/chemistry/validate
POST /v1/chemistry/validate
Доступ
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Тело запроса
| Поле | Тип | Обязательно | Описание |
|---|---|---|---|
reaction_smiles | string | да | |
mode | "strict" ∣ "training" | нет | По умолчанию: "strict". |
conditions | ChemistryConditions ∣ null | нет | |
patent | string ∣ null | нет | |
year | integer ∣ null | нет | |
include_agents_in_balance | boolean | нет | По умолчанию: false. |
Полная схема: ValidateReactionRequest
{
"properties": {
"reaction_smiles": {
"type": "string",
"maxLength": 10000,
"minLength": 1,
"title": "Reaction Smiles"
},
"mode": {
"type": "string",
"enum": [
"strict",
"training"
],
"title": "Mode",
"default": "strict"
},
"conditions": {
"anyOf": [
{
"$ref": "#/components/schemas/ChemistryConditions"
},
{
"type": "null"
}
]
},
"patent": {
"anyOf": [
{
"type": "string",
"maxLength": 300,
"minLength": 1
},
{
"type": "null"
}
],
"title": "Patent"
},
"year": {
"anyOf": [
{
"type": "integer",
"maximum": 9999,
"minimum": 1
},
{
"type": "null"
}
],
"title": "Year"
},
"include_agents_in_balance": {
"type": "boolean",
"title": "Include Agents In Balance",
"default": false
}
},
"additionalProperties": false,
"type": "object",
"required": [
"reaction_smiles"
],
"title": "ValidateReactionRequest"
}Ответы
| HTTP | Описание | Тип |
|---|---|---|
| 200 | Успешный ответ | application/json: ReactionValidationResult |
| 401 | Требуется авторизация | application/problem+json: ProblemDetails |
| 402 | Недостаточно кредитов | application/problem+json: ProblemDetails |
| 403 | Доступ запрещён | application/problem+json: ProblemDetails |
| 408 | Время запроса истекло | application/problem+json: ProblemDetails |
| 413 | Превышен размер запроса | application/problem+json: ProblemDetails |
| 422 | Ошибка входных данных | application/problem+json: ProblemDetails |
| 429 | Превышен лимит | application/problem+json: ProblemDetails |
| 502 | Ошибка шлюза | application/problem+json: ProblemDetails |
| 503 | Сервис недоступен | application/problem+json: ProblemDetails |
Ответ: ReactionValidationResult
| Поле | Тип | Обязательно | Описание |
|---|---|---|---|
valid | boolean | да | |
mode | "strict" ∣ "training" | да | |
reaction_smiles | string | да | |
canonical_reaction_smiles | string ∣ null | да | |
identity_transformation | boolean | да | |
include_agents_in_balance | boolean | да | |
validator | ValidatorVerdict | да | |
atom_balance | AtomConservation | да | |
errors | ChemistryIssue[] | да | |
warnings | ChemistryIssue[] | да | |
limitations | string[] | да |
Полная схема
{
"properties": {
"valid": {
"type": "boolean",
"title": "Valid"
},
"mode": {
"type": "string",
"enum": [
"strict",
"training"
],
"title": "Mode"
},
"reaction_smiles": {
"type": "string",
"title": "Reaction Smiles"
},
"canonical_reaction_smiles": {
"anyOf": [
{
"type": "string"
},
{
"type": "null"
}
],
"title": "Canonical Reaction Smiles"
},
"identity_transformation": {
"type": "boolean",
"title": "Identity Transformation"
},
"include_agents_in_balance": {
"type": "boolean",
"title": "Include Agents In Balance"
},
"validator": {
"$ref": "#/components/schemas/ValidatorVerdict"
},
"atom_balance": {
"$ref": "#/components/schemas/AtomConservation"
},
"errors": {
"items": {
"$ref": "#/components/schemas/ChemistryIssue"
},
"type": "array",
"title": "Errors"
},
"warnings": {
"items": {
"$ref": "#/components/schemas/ChemistryIssue"
},
"type": "array",
"title": "Warnings"
},
"limitations": {
"items": {
"type": "string"
},
"type": "array",
"title": "Limitations"
}
},
"additionalProperties": true,
"type": "object",
"required": [
"valid",
"mode",
"reaction_smiles",
"canonical_reaction_smiles",
"identity_transformation",
"include_agents_in_balance",
"validator",
"atom_balance",
"errors",
"warnings",
"limitations"
],
"title": "ReactionValidationResult"
}Эта страница генерируется из OpenAPI. Примеры показывают схемы, а не вымышленные успешные ответы.