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JSON Object Representation

CDD objects (such as molecules or batches) are represented externally using JSON.

Objects are represented by JSON dictionaries. Top-level (“resource”) objects and some others include fields for class and id that uniquely identify this object. Resource level objects include molecules, batches, protocols, and plates.

Standard fields

 

These fields appear on all resource-level objects:

class

the class of this resource, eg “batch”

id

the integer id of this resource

created_at

The creation date of the object, eg “2010-05-01"

modified_at

The modification date of the object

 

The fields in the top-level JSON dictionary are as follows:

count
Total number of objects that match the query criteria
page_size
The maximum number of objects returned in this call (the actual number returned may be less). This number can be specified with the page_size parameter.
offset
The index of the first object actually returned. This number can be specified with the offset parameter.
objects
The actual objects returned, in a JSON array.

 

An object's JSON representation is a dictionary which contains fields and their values. Values can be primitives (numbers, strings), lists (denoted with square brackets), or other objects (dictionaries, denoted with curly braces).

For example, here is a (simplified) representation of a molecule: 

{
  "class": "molecule",
  "id": 23,
  "name": "Benzene",
  "modified_at": "1999-01-01",
  "created_at": "1999-01-01",
  "smiles": "C1=CC=CC=C1" 
}

In particular, note the class and id fields. Together, these uniquely identify a CDD object.

For each major resource object (currently molecules, batches, protocols), there are two separate API calls, one to retrieve an individual object and another to retrieve a set of objects.

An individual object call returns the JSON dictionary for that object.

A set call returns a JSON dictionary containing control fields, with the actual objects returned in the value of the objects field. For example:

{"count": 237,
 "offset": 0,
 "page_size": 50,
 "objects": [{"id": 2343, "class": "molecule", "name": "Quinine"...}, 
             {"id": 2356, "class": "molecule", "name", "Morphine"...},
             ...]}

 

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