blob: f628f4b060ff17f74f4830e95726f9f7f5136b73 (
plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
|
@rest
Feature: Create compound URI
Scenario Outline: Create and get URIs
Given Content-Type is <mime-type>
When I post <descriptor> to the compound webservice
Then I should receive a valid URI
And the URI should contain <inchi>
And the URI response should be <cansmi>
Examples:
|descriptor |mime-type |inchi |cansmi |
|F[B-](F)(F)F.[Na+] |chemical/x-daylight-smiles|InChI=1S/BF4.Na/c2-1(3,4)5;/q-1;+1 |[Na+].F[B-](F)(F)F |
|CC(=O)CC(C)C#N |chemical/x-daylight-smiles|InChI=1S/C6H9NO/c1-5(4-7)3-6(2)8/h5H,3H2,1-2H3 |CC(CC(=O)C)C#N |
|Benzene |text/plain |InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H |c1ccccc1 |
|N#[N+]C1=CC=CC=C1.F[B-](F)(F)F |chemical/x-daylight-smiles|InChI=1S/C6H5N2.BF4/c7-8-6-4-2-1-3-5-6;2-1(3,4)5/h1-5H;/q+1;-1|N#[N+]c1ccccc1.F[B-](F)(F)F|
|InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H|chemical/x-inchi |InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H |c1ccccc1 |
|