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− | <h2>Chemical compound</h2>
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− | <h3>Component description</h3>
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− | <p>Provides different representations for chemical compounds with a unique and defined chemical structure.</p>
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− | <h3>REST operations</h3>
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− | {| class="plain"<tbody>
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− | | <strong>Description</strong>
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− | | <strong>Method</strong>
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− | | <strong>URI</strong>
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− | | <strong>Parameters</strong>
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− | | <strong>Result</strong>
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− | | <strong>Status codes</strong>
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− | |-
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− | | Search for compounds<br>
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− | | GET<br>
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− | | /compound<br>
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− | | <strong>[subjectid]</strong><br>?<strong>search</strong>=value&<strong>sameas</strong>=URI_FROM_AN_ONTOLOGY<br>
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− | | List of compounds, matching the query<br>
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− | | 200,404,503
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− | |-
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− | | Get the representation of a compound
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− | | GET
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− | | /compound/{id}
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− | | <strong>[subjectid]</strong><br>(optional)<br>?<strong>feature_uris[]</strong>="URI to features"
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− | | Compound representation in one of the supported MIME formats, if <strong>feature_uris[]</strong> provided includes features and values
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− | | 200,404,503
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− | |-
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− | | Create a new compound
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− | | POST
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− | | /compound
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− | | <strong>[subjectid]</strong><br>Compound representation in a supported MIME format<br>
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− | | URIs for new compounds
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− | | 200,400,503
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− | |-
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− | | Update a compound (optional)<br>
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− | | PUT
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− | | /compound/{id}
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− | | <strong>[subjectid]</strong><br>Compound representation in a supported MIME format
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− | | –
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− | | 200,400,404,503
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− | |-
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− | | Delete a compound (optional)<br>
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− | | DELETE
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− | | /compound/{id}
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− | | <strong>[subjectid]</strong>
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− | | –<br>Delete all feature values per compound recursively?<br>
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− | | 200,400,404,503</tbody>
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− | |}<p> </p><h3>Features per Compound<br></h3>
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− | {| class="plain"<tbody>
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− | | <strong>Description<br></strong>
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− | | <strong>Method<br></strong>
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− | | <strong>URI<br></strong>
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− | | <strong>Parameter<br></strong>
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− | | <strong>Result<br></strong>
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− | | <strong>Status codes<br></strong>
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− | |-
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− | | Get available feature URIs for a compound<br>
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− | | GET<br>
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− | | /compound/{cid}/feature<br>
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− | | <strong>[subjectid]</strong><br>?<strong>feature_uris[]</strong>="URIto features" (optional)<br>
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− | | Returns representation of the features as uri-list or RDF<br>All available features are returned, if no parameter is specified<br>
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− | | 200,404,503<br>
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− | |-
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− | | Create a new feature value<br>
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− | | POST<br>
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− | | /compound/{cid}/feature
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− | | <strong>[subjectid]</strong><br>?<strong>feature_uri</strong>="URIto feature" (mandatory, single feature)&<strong>value</strong>=the_value
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− | | URI of the compound with the new feature, e.g.<br>/compound/{id}?feature_uris[]=the-new-feature<br>
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− | | 200,400,503
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− | |-
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− | | Update a new feature value
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− | | PUT<br>
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− | | /compound/{cid}/feature
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− | | <strong>[subjectid]</strong><br>?<strong>feature_uri</strong>="URIto feature" (mandatory, single feature)&<strong>value</strong>=the_value<br><br>
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− | | <br>
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− | | 200,400,404,503
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− | |-
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− | | Delete specified features from the compound
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− | | DELETE<br>
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− | | /compound/{cid}/feature
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− | | <strong>[subjectid]</strong><br>?<strong>feature_uris[]</strong>="URIto features" (optional)
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− | | <br>
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− | | 200,400,404,503</tbody>
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− | |}<h3>HTTP status codes</h3>
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− | {| class="plain"<tbody>
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− | | <strong>Interpretation</strong>
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− | | <strong>Nr</strong>
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− | | <strong>Name</strong>
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− | |-
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− | | Success
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− | | 200
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− | | OK
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− | |-
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− | | Compound not found
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− | | 404
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− | | Not Found
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− | |-
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− | | Incorrect MIME type
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− | | 400
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− | | Bad request
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− | |-
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− | | Service not available
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− | | 503
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− | | Service unavailable</tbody>
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− | |}
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− | <h3>Compound representation</h3>
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− | <h4>Supported MIME formats</h4>http://chemical-mime.sourceforge.net/
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− | <p>Mandatory:</p><ul><li>
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− | chemical/x-daylight-smiles (default)<br></li><li>
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− | chemical/x-inchi</li><li>
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− | chemical/x-mdl-sdfile</li><li>
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− | chemical/x-mdl-molfile</li></ul><p>Optional:</p><ul><li>
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− | chemical/x-mol2</li><li>
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− | chemical/x-cml</li><li>other chemical formats</li><li>image/png</li><li>other image formats</li><li>text/plain (chemical names)</li><li>application/rdf+xml</li></ul><h2>Conformers (optional)<br></h2><h3>Component description</h3><p>[Optional] support for multiple (e.g. 3D) structures per chemical compound (single structure by default)</p><h3>REST operations <br></h3>
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− | {| class="plain"<tbody>
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− | | <strong>Description</strong>
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− | | <strong>Method</strong>
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− | | <strong>URI</strong>
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− | | <strong>Parameters</strong>
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− | | <strong>Result</strong>
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− | | <strong>Status codes</strong>
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− | |-
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− | | Get available structures of a compound
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− | | GET
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− | | /compound/{id1}/conformer/
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− | | <strong>[subjectid]</strong>
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− | | List of structure URIs<br>
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− | | 200,404,503
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− | |-
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− | | Create a new structure
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− | | POST
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− | | /compound/{id1}/conformer
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− | | <strong>[subjectid]</strong><br>Representation in a supported MIME format
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− | | New URI /compound/{id1}/conformer/{id2}
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− | | 200,400,503
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− | |-
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− | | Remove all structures
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− | | DELETE
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− | | /compound/{id1}/conformer/
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− | | <strong>[subjectid]</strong>
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− | | –
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− | | 200,400,404,503
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− | |-
| + | |
− | | Get the representation of a structure<br>
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− | | GET
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− | | /compound/{id1}/conformer/{id2}
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− | | <strong>[subjectid]</strong><br>?<strong>feature_uris[]</strong>="URI to features"
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− | | Representation in a supported MIME format , with feature values , if <strong>feature_uris</strong>[] provided<br>
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− | | 200,404,503
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− | |-
| + | |
− | | Update the representation of a structure
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− | | PUT
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− | | /compound/{id1}/conformer/{id2}
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− | | <strong>[subjectid]</strong><br>Representation in a supported MIME format
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− | | URI /compound/{id1}/conformer/{id2}
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− | | 200,400,404,503
| + | |
− | |-
| + | |
− | | Remove a structure
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− | | DELETE
| + | |
− | | /compound/{id1}/conformer/{id2}
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− | | –
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− | | –
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− | | 200,400,404,503</tbody>
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− | |}<h3>Features per Conformer</h3><p> </p>
| + | |
− | {| class="plain"<tbody>
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− | | <strong>Description<br></strong>
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− | | <strong>Method<br></strong>
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− | | <strong>URI<br></strong>
| + | |
− | | <strong>Parameter<br></strong>
| + | |
− | | <strong>Result<br></strong>
| + | |
− | | <strong>Status codes<br></strong>
| + | |
− | |-
| + | |
− | | Get available feature URIs for a compound<br>
| + | |
− | | GET<br>
| + | |
− | | /compound/{cid}/conformer/{cid}/feature<br>
| + | |
− | | <strong>[subjectid]</strong><br>?<strong>feature_uris[]</strong>="URIto features" (optional)<br>
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− | | Returns representation of the features as uri-list or RDF<br>All available features are returned, if no parameter is specified<br>
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− | | 200,404,503<br>
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− | |-
| + | |
− | | Create a new feature value<br>
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− | | POST<br>
| + | |
− | | /compound/{cid}/conformer/{cid}/feature
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− | | <strong>[subjectid]</strong><br>?<strong>feature_uri</strong>="URIto feature" (mandatory, single feature)&<strong>value</strong>=the_value
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− | | URI of the compound with the new feature, e.g.<br>
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− | /compound/{id}/conformer/{cid}?feature_uris[]=the-new-feature<br>
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− | | 200,400,503
| + | |
− | |-
| + | |
− | | Update a new feature value
| + | |
− | | PUT<br>
| + | |
− | | /compound/{cid}/conformer/{cid}/feature
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− | | <strong>[subjectid]</strong><br>?<strong>feature_uri</strong>="URIto feature" (mandatory, single feature)&<strong>value</strong>=the_value<br><br>
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− | | <br>
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− | | 200,400,404,503
| + | |
− | |-
| + | |
− | | Delete specified features from the compound
| + | |
− | | DELETE<br>
| + | |
− | | /compound/{cid}/conformer/{cid}/feature
| + | |
− | | <strong>[subjectid]</strong><br>?<strong>feature_uris[]</strong>="URIto features" (optional)
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− | | <br>
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− | | 200,400,404,503</tbody>
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− | |}<ul><li><strong>subjectid</strong> (optional) parameter that contains the OpenSSO A&A token needed to access protected services.</li></ul><p> </p><h3>HTTP status codes</h3><p>same as for Compounds</p><h3>Structure representation</h3><p>same as for Compounds</p>
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