api
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This shows you the differences between two versions of the page.
Both sides previous revisionPrevious revisionNext revision | Previous revisionNext revisionBoth sides next revision | ||
api [2019/09/08 09:49] – [Quote Request API] flack | api [2023/06/03 07:15] – [Quote Request API] flack | ||
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API base url: https:// | API base url: https:// | ||
- | Examples are demonstrated with [[https:// | + | Examples are demonstrated with [[https:// |
+ | |||
+ | Only the most important request/ | ||
====== Response status codes ====== | ====== Response status codes ====== | ||
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" | " | ||
{ | { | ||
- | "description": "All purchasable, in stock & virtual compounds", | + | "id": |
- | " | + | " |
+ | " | ||
+ | " | ||
+ | " | ||
" | " | ||
{ | { | ||
- | "download_url": | + | "size_mb": |
- | " | + | " |
- | " | + | " |
- | "size_mb": | + | "download_url": |
- | }, | + | }, |
{ | { | ||
- | "download_url": | + | "size_mb": |
- | " | + | " |
- | " | + | " |
- | "size_mb": | + | "download_url": |
} | } | ||
- | ], | + | ], |
- | "last_updated": | + | "public": |
- | "name": "Mcule Purchasable (full)" | + | "group": "default" |
}, | }, | ||
{ | { | ||
- | "description": "All purchasable, in stock compounds", | + | "id": |
- | " | + | " |
+ | " | ||
+ | " | ||
+ | " | ||
" | " | ||
{ | { | ||
- | "download_url": | + | "size_mb": |
- | " | + | " |
- | " | + | " |
- | "size_mb": | + | "download_url": |
- | }, | + | }, |
{ | { | ||
- | "download_url": | + | "size_mb": |
- | " | + | " |
- | " | + | " |
- | "size_mb": | + | "download_url": |
} | } | ||
- | ], | + | ], |
- | "last_updated": | + | "public": |
- | "name": "Mcule Purchasable (in stock)" | + | "group": "default" |
} | } | ||
] | ] | ||
} | } | ||
</ | </ | ||
+ | |||
+ | If you call this API endpoint as an authenticated user (=you provide a [[api# | ||
Line 156: | Line 166: | ||
===== InChIKey lookup ===== | ===== InChIKey lookup ===== | ||
== Endpoint: == | == Endpoint: == | ||
- | < | + | < |
== Example API request: == | == Example API request: == | ||
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Authentication is currently a token based authentication. | Authentication is currently a token based authentication. | ||
- | If you would like to access our protected API endpoints, please drop us an email at support@mcule.com and we can provide you with a token. | + | If you would like to access our protected API endpoints, please drop us an email at support@mcule.com |
Once you have a valid token you have to send it in the Authorization header: | Once you have a valid token you have to send it in the Authorization header: | ||
Line 339: | Line 349: | ||
http ' | http ' | ||
</ | </ | ||
+ | |||
+ | |||
+ | ===== Compound list details ===== | ||
+ | |||
+ | With this endpoint you can get compound details information for multiple compound mcule IDs in a single API call. | ||
+ | |||
+ | == Endpoint: == | ||
+ | < | ||
+ | |||
+ | == Basic API request: == | ||
+ | < | ||
+ | echo ' | ||
+ | </ | ||
+ | |||
+ | |||
+ | == Example API request: == | ||
+ | < | ||
+ | echo ' | ||
+ | </ | ||
+ | |||
+ | == Request: == | ||
+ | < | ||
+ | POST / | ||
+ | Authorization: | ||
+ | Content-Type: | ||
+ | |||
+ | { | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | ], | ||
+ | " | ||
+ | 1, | ||
+ | 5, | ||
+ | 10 | ||
+ | ] | ||
+ | } | ||
+ | </ | ||
+ | |||
+ | == Response: == | ||
+ | < | ||
+ | HTTP/1.1 200 OK | ||
+ | Content-Type: | ||
+ | |||
+ | { | ||
+ | " | ||
+ | " | ||
+ | { | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
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+ | }, | ||
+ | " | ||
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+ | }, | ||
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+ | }, | ||
+ | { | ||
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+ | { | ||
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+ | " | ||
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+ | }, | ||
+ | { | ||
+ | " | ||
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+ | " | ||
+ | " | ||
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+ | }, | ||
+ | { | ||
+ | " | ||
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+ | " | ||
+ | " | ||
+ | } | ||
+ | ], | ||
+ | " | ||
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+ | }, | ||
+ | " | ||
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+ | }, | ||
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+ | }, | ||
+ | { | ||
+ | " | ||
+ | " | ||
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+ | { | ||
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+ | }, | ||
+ | { | ||
+ | " | ||
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+ | " | ||
+ | " | ||
+ | }, | ||
+ | { | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | } | ||
+ | ], | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | }, | ||
+ | " | ||
+ | " | ||
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+ | " | ||
+ | }, | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | } | ||
+ | ] | ||
+ | } | ||
+ | </ | ||
+ | |||
+ | Fields: | ||
+ | * **mcule_ids**: | ||
+ | * **availability**: | ||
+ | * **components**: | ||
+ | * **price_amounts**: | ||
+ | |||
+ | Limits: | ||
+ | * **mcule_ids**: | ||
+ | * **price_amounts**: | ||
+ | |||
===== Multiple queries exact search ===== | ===== Multiple queries exact search ===== | ||
Multiple queries exact search currently accepts the following input identifiers: | Multiple queries exact search currently accepts the following input identifiers: | ||
+ | The maximum number of queries you can send to this endpoint is 1000 currently. | ||
== Endpoint: == | == Endpoint: == | ||
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" | " | ||
{ | { | ||
- | " | + | " |
- | " | + | " |
- | " | + | " |
+ | " | ||
+ | " | ||
+ | " | ||
" | " | ||
- | }, | + | }, |
{ | { | ||
- | " | + | " |
- | " | + | " |
- | " | + | " |
+ | " | ||
+ | " | ||
+ | " | ||
" | " | ||
- | }, | + | }, |
{ | { | ||
- | " | + | " |
- | " | + | " |
- | "smiles": " | + | " |
- | " | + | " |
- | }, | + | "query": " |
+ | " | ||
+ | " | ||
+ | }, | ||
{ | { | ||
- | " | + | " |
- | " | + | " |
- | " | + | " |
+ | " | ||
+ | " | ||
+ | " | ||
" | " | ||
} | } | ||
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} | } | ||
</ | </ | ||
+ | |||
+ | Please note that in case the queries are InChIKeys, **matching_level** and **matching_level_display** will always be **null** in the response. | ||
===== Multiple queries exact search with availability ===== | ===== Multiple queries exact search with availability ===== | ||
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{ | { | ||
" | " | ||
- | " | + | " |
- | " | + | " |
" | " | ||
- | }, | + | }, |
- | " | + | " |
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+ | " | ||
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+ | " | ||
" | " | ||
- | }, | + | }, |
{ | { | ||
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- | " | + | " |
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- | }, | + | }, |
- | " | + | " |
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- | }, | + | }, |
{ | { | ||
" | " | ||
- | " | + | " |
- | " | + | " |
" | " | ||
- | }, | + | }, |
- | " | + | " |
- | " | + | " |
- | "smiles": " | + | " |
- | " | + | " |
- | }, | + | "query": " |
+ | " | ||
+ | " | ||
+ | }, | ||
{ | { | ||
" | " | ||
- | " | + | " |
- | " | + | " |
" | " | ||
- | }, | + | }, |
- | " | + | " |
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- | " | + | " |
+ | " | ||
+ | " | ||
+ | " | ||
" | " | ||
} | } | ||
] | ] | ||
- | } | + | } |
</ | </ | ||
+ | Please note that in case the queries are InChIKeys, **matching_level** and **matching_level_display** will always be **null** in the response. | ||
+ | |||
+ | |||
+ | ===== Similarity search ===== | ||
+ | Similarity search currently accepts the following input identifiers: | ||
+ | |||
+ | == Endpoint: == | ||
+ | < | ||
+ | |||
+ | == Example API request: == | ||
+ | < | ||
+ | echo ' | ||
+ | </ | ||
+ | |||
+ | or | ||
+ | |||
+ | < | ||
+ | echo ' | ||
+ | </ | ||
+ | |||
+ | == Request: == | ||
+ | < | ||
+ | POST / | ||
+ | Accept: application/ | ||
+ | Accept-Encoding: | ||
+ | Authorization: | ||
+ | Content-Type: | ||
+ | |||
+ | { | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | } | ||
+ | </ | ||
+ | |||
+ | == Response: == | ||
+ | < | ||
+ | HTTP/1.1 200 OK | ||
+ | Allow: POST, OPTIONS | ||
+ | Content-Encoding: | ||
+ | Content-Type: | ||
+ | |||
+ | { | ||
+ | " | ||
+ | { | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | }, | ||
+ | { | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | }, | ||
+ | { | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | } | ||
+ | ] | ||
+ | } | ||
+ | </ | ||
+ | |||
+ | Mandatory fields: | ||
+ | |||
+ | * **query**: string, accepted identifiers: | ||
+ | |||
+ | Optional fields: | ||
+ | |||
+ | * **threshold**: | ||
+ | * **limit**: integer, accepted values between 1 and 1000, default: 100 | ||
+ | * **collection**: | ||
+ | |||
+ | |||
+ | ===== Substructure search ===== | ||
+ | Substructure search currently accepts the following input identifiers: | ||
+ | |||
+ | == Endpoint: == | ||
+ | < | ||
+ | |||
+ | == Example API request: == | ||
+ | < | ||
+ | echo ' | ||
+ | </ | ||
+ | |||
+ | == Request: == | ||
+ | < | ||
+ | POST / | ||
+ | Accept: application/ | ||
+ | Accept-Encoding: | ||
+ | Authorization: | ||
+ | Content-Type: | ||
+ | |||
+ | { | ||
+ | " | ||
+ | " | ||
+ | } | ||
+ | </ | ||
+ | |||
+ | == Response: == | ||
+ | < | ||
+ | HTTP/1.1 200 OK | ||
+ | Allow: POST, OPTIONS | ||
+ | Content-Encoding: | ||
+ | Content-Type: | ||
+ | |||
+ | { | ||
+ | " | ||
+ | { | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | }, | ||
+ | { | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | }, | ||
+ | { | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | }, | ||
+ | { | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | }, | ||
+ | { | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | } | ||
+ | ] | ||
+ | } | ||
+ | </ | ||
+ | |||
+ | Mandatory fields: | ||
+ | |||
+ | * **query**: string, accepted identifiers: | ||
+ | |||
+ | Optional fields: | ||
+ | |||
+ | * **limit**: integer, accepted values between 1 and 1000, default: 100 | ||
+ | * **collection**: | ||
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* **amount**: Preferred amount per molecule (mg). (default: 1) | * **amount**: Preferred amount per molecule (mg). (default: 1) | ||
* **min_amount**: | * **min_amount**: | ||
- | * **target_volume**: | + | * **target_volume**: |
* **target_cc**: | * **target_cc**: | ||
+ | * **extra_amount**: | ||
+ | * **min_extra_amount**: | ||
* **customer_email**: | * **customer_email**: | ||
* **delivery_time**: | * **delivery_time**: | ||
* **purity**: Required minimum purity (%). (default: null) | * **purity**: Required minimum purity (%). (default: null) | ||
+ | * **higher_amounts**: | ||
* **item_filters**: | * **item_filters**: | ||
+ | * **scheme**: If you have access to predefined / pre-negotiated quote request schemes, you can specify here which one you want to use. You have to send the ID of the scheme which will be provided to you after negotiation. A quote query scheme is essentially a template that contains predefined quote query parameters, or even include private parameters that affect quote generation in various ways (e.g.: discounts, predefined custom prices). These parameters can be customized for your use case. The scheme might already contain mandatory fields like delivery_country. In this case you don't have to specify them again, they will be applied from the scheme. Any explicitly specified public parameter during the request will override the one that comes from the specified scheme. | ||
The **amount** or target concentration-volume pair (**target_volume** and **target_cc**) need to be specified. | The **amount** or target concentration-volume pair (**target_volume** and **target_cc**) need to be specified. | ||
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} | } | ||
], | ], | ||
- | " | ||
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Where currency is not specified, it is always USD. | Where currency is not specified, it is always USD. | ||
+ | * **additional_document_notes**: | ||
+ | * **amount_range**: | ||
+ | * **amount_range_display**: | ||
* **analytical_services_price**: | * **analytical_services_price**: | ||
* **avg_product_price**: | * **avg_product_price**: | ||
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* **effective_price_display**: | * **effective_price_display**: | ||
* **price**: effective price | * **price**: effective price | ||
+ | * **product_available_amount**: | ||
+ | * **product_available_amount_display**: | ||
* **product_mcule_id**: | * **product_mcule_id**: | ||
* **product**: | * **product**: | ||
* **product_compound_mcule_id**: | * **product_compound_mcule_id**: | ||
+ | * **product_delivery_time**: | ||
* **product_price**: | * **product_price**: | ||
* **product_purity**: | * **product_purity**: | ||
+ | * **product_smiles**: | ||
* **structure_origin_mcule_id**: | * **structure_origin_mcule_id**: | ||
* **quote**: The ID of the quote this product level quote data belongs to. | * **quote**: The ID of the quote this product level quote data belongs to. | ||
- | * **missing_mcule_ids**: | ||
* **name**: The name of the quote. Quotes created via the API don't have names. | * **name**: The name of the quote. Quotes created via the API don't have names. | ||
- | * **order_data**: | + | * **order_data**: |
+ | * **billing_address**: | ||
+ | * **billing_city**: | ||
+ | * **billing_company_name**: | ||
+ | * **billing_country**: | ||
+ | * **billing_post_code**: | ||
+ | * **billing_state**: | ||
+ | * **billing_email**: | ||
+ | * **billing_first_name**: | ||
+ | * **billing_last_name**: | ||
+ | * **billing_phone**: | ||
+ | * **billing_same**: | ||
+ | * **billing_vat**: | ||
+ | * **shipping_address**: | ||
+ | * **shipping_city**: | ||
+ | * **shipping_company_name**: | ||
+ | * **shipping_country**: | ||
+ | * **shipping_post_code**: | ||
+ | * **shipping_state**: | ||
+ | * **shipping_email**: | ||
+ | * **shipping_first_name**: | ||
+ | * **shipping_last_name**: | ||
+ | * **shipping_phone**: | ||
+ | * **notes**: notes | ||
+ | * **po_number**: | ||
+ | * **po_file_filename**: | ||
+ | * **po_option**: | ||
+ | * **po_option_display**: | ||
+ | * **created**: | ||
+ | * **updated**: | ||
+ | * **id**: ID of the purchase order data | ||
* **payment_due_days**: | * **payment_due_days**: | ||
* **price**: Total price of quote (USD) | * **price**: Total price of quote (USD) | ||
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* **updated**: | * **updated**: | ||
* **valid_until**: | * **valid_until**: | ||
- | + | ||
+ | ==== Quote - Missing structures ==== | ||
+ | |||
+ | You can get the missing structures along with the reason of their exclusion. | ||
+ | |||
+ | < | ||
+ | http https:// | ||
+ | </ | ||
+ | |||
+ | And it will return a similar response to this: | ||
+ | < | ||
+ | { | ||
+ | " | ||
+ | { | ||
+ | " | ||
+ | " | ||
+ | }, | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | }, | ||
+ | { | ||
+ | " | ||
+ | " | ||
+ | }, | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | }, | ||
+ | { | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | }, | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | } | ||
+ | ] | ||
+ | } | ||
+ | </ | ||
+ | |||
+ | ==== Download quote as PDF ==== | ||
+ | |||
+ | You can download a quote as a PDF file. Please note that the PDF file generation can take some time, the more item it contains the more time it will take to generate the file. | ||
+ | |||
+ | The HTTP response contains a // | ||
+ | |||
+ | < | ||
+ | http https:// | ||
+ | </ | ||
+ | |||
+ | ==== Download quote as Excel (.xlsx) file ==== | ||
+ | |||
+ | You can download a quote as an Excel file. Please note that the file generation can take some time, the more item it contains the more time it will take to generate the file. | ||
+ | |||
+ | The HTTP response contains a // | ||
+ | |||
+ | < | ||
+ | http https:// | ||
+ | </ | ||
+ | |||
+ | |||
+ | ===== Quote order ===== | ||
+ | |||
+ | Submit purchase order for a quote via API. | ||
+ | |||
+ | < | ||
+ | http --form POST https:// | ||
+ | </ | ||
+ | |||
+ | == Example request: === | ||
+ | < | ||
+ | POST / | ||
+ | Accept: */* | ||
+ | Accept-Encoding: | ||
+ | Authorization: | ||
+ | Content-Type: | ||
+ | |||
+ | +-----------------------------------------+ | ||
+ | | NOTE: binary data not shown in terminal | | ||
+ | +-----------------------------------------+ | ||
+ | </ | ||
+ | |||
+ | Please note that in case you submit a file in the API request, you have to use // | ||
+ | |||
+ | If you don't submit a file in the API request, you can use // | ||
+ | |||
+ | < | ||
+ | echo ' | ||
+ | </ | ||
+ | |||
+ | == Example request: === | ||
+ | < | ||
+ | POST / | ||
+ | Accept: application/ | ||
+ | Authorization: | ||
+ | Content-Type: | ||
+ | { | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | } | ||
+ | </ | ||
+ | |||
+ | == Example response: === | ||
+ | < | ||
+ | HTTP/1.0 201 CREATED | ||
+ | Allow: POST, OPTIONS | ||
+ | Content-Type: | ||
+ | |||
+ | { | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | " | ||
+ | } | ||
+ | </ | ||
+ | |||
+ | |||
+ | Mandatory fields: | ||
+ | * **po_option**: | ||
+ | |||
+ | Optional fields: | ||
+ | * **billing_address**: | ||
+ | * **billing_city**: | ||
+ | * **billing_company_name**: | ||
+ | * **billing_country**: | ||
+ | * **billing_post_code**: | ||
+ | * **billing_state**: | ||
+ | * **billing_email**: | ||
+ | * **billing_first_name**: | ||
+ | * **billing_last_name**: | ||
+ | * **billing_phone**: | ||
+ | * **billing_same**: | ||
+ | * **billing_vat**: | ||
+ | * **shipping_address**: | ||
+ | * **shipping_city**: | ||
+ | * **shipping_company_name**: | ||
+ | * **shipping_country**: | ||
+ | * **shipping_post_code**: | ||
+ | * **shipping_state**: | ||
+ | * **shipping_email**: | ||
+ | * **shipping_first_name**: | ||
+ | * **shipping_last_name**: | ||
+ | * **shipping_phone**: | ||
+ | * **notes**: notes | ||
+ | * **po_number**: | ||
+ | * **po_file**: | ||
+ | |||
+ | The address and contact fields are optional if this information is included in the Purchase Order document or will be provided later to our support team. Although providing the shipping and billing address / contact information here can speed up the ordering process, if you decide to leave them empty, our support team will contact you to reconcile this information. | ||
+ | |||
+ | Subsequent calls to this same endpoint make it possible to update the purchase order information. You can also report incorrect data at order@mcule.com. Please make sure you reference the quote' | ||
+ | |||
+ | |||
+ | ====== Code examples (Python) ====== | ||
+ | |||
+ | We created a public Git repository that contains Python code examples on how to use the Mcule API. These examples supplement the above API documentation and might give you a better understanding on how you can utilize those API endpoints currently. | ||
+ | |||
+ | The repository is available here: | ||
+ | [[https:// | ||
+ | |||
+ | We'll probably extend this repository with new examples later. |
api.txt · Last modified: 2024/05/10 08:12 by bkovats