docs update

Author: tdudgeon

docker-compose.yml

@@ -26,14 +26,16 @@ services:
 
   # This container runs the REST API that queries the test database.
   # Some useful queries are:
-  # export FRAGNET_SERVER=http://localhost
+  # export FRAGNET_SERVER="http://localhost:8080"
   # curl $FRAGNET_SERVER:8080/fragnet-search/rest/ping
   # curl $FRAGNET_SERVER:8080/fragnet-search/rest/v2/search/suppliers
   # curl "$FRAGNET_SERVER:8080/fragnet-search/rest/v2/search/molecule/OC(Cn1ccnn1)C1CC1"
   # curl "$FRAGNET_SERVER:8080/fragnet-search/rest/v2/search/neighbourhood/OC(Cn1ccnn1)C1CC1?hac=3&rac=1&hops=2"
   # curl "$FRAGNET_SERVER:8080/fragnet-search/rest/v2/search/availability/OC(Cn1ccnn1)C1CC1"
   # curl "$FRAGNET_SERVER:8080/fragnet-search/rest/v2/search/expand/OC(Cn1ccnn1)C1CC1?hacMin=5&hacMax=10&racMin=3&racMax=3&hops=2"
   # curl --data-binary "@fragnet-search/src/test/data/expand.smi" -H "Content-Type: chemical/x-daylight-smiles" "$FRAGNET_SERVER:8080/fragnet-search/rest/v2/search/expand-multi?hacMin=5&hacMax=5&racMin=2&racMax=2&hops=2"
+  # curl "$FRAGNET_SERVER/fragnet-search/rest/v2/search/fragments/OC(Cn1ccnn1)C1CC1"
+  # curl "$FRAGNET_SERVER/fragnet-search/rest/v2/search/synthon-expand/OC(Cn1ccnn1)C1CC1?synthon=%5BXe%5Dn1ccnn1&hops=2&hacMin=14&hacMax=18"
   fragnet-search:
           image: squonk/fragnet-search:latest
           environment:

fragnet-search/README.md

@@ -30,6 +30,8 @@ restricted to specific suppliers.
 4. Availability search - find the forms of a molecule from the fragment network that are available from suppliers 
 5. Expansion search - expand out a single molecule returning isomeric molecules that can be purchased
 6. Expansion multi search - expand out a set of molecules returning isomeric molecules that can be purchased
+7. Fragments search - fetch all child fragments of a molecule
+8. Synthon expansion search - find expansions of a molecule that contain a particular "synthon"
 
 
 ### Supplier search
@@ -46,7 +48,10 @@ of a comma separated list of supplier names. These must be specified __exactly__
 ### Molecule search
 
 This allows you to find out if the specified molecule is part of the fragment network.
-This is available from the `fragnet-search/rest/v2/search/molecule/{smiles}` endpoint.
+This is available from the `fragnet-search/rest/v2/search/molecule/{smiles}` endpoint. For example:
+```
+curl "${FRAGNET_SERVER}/fragnet-search/rest/v2/search/molecule/OC(Cn1ccnn1)C1CC1"
+```
 If the molecule is not present you get a 404 response. If it is present you get back a 200 response containing JSON
 with basic information about the molecule, e.g.
 ```
@@ -714,7 +719,7 @@ To achieve this you will need to:
 For instance, assuming have [curl] and [jq] installed, to perform step 3 you will need to do something like this:
 
 ```
-token=$(curl -d "grant_type=password" -d "client_id=fragnet-search" -d "username=<username>" -d "password=<password>"\
+token=$(curl -d "grant_type=password" -d "client_id=fragnet-search-ui" -d "username=<username>" -d "password=<password>"\
   https://squonk.it/auth/realms/squonk/protocol/openid-connect/token 2> /dev/null \
   | jq -r '.access_token')
 ```