forked from egonw/cheminfbenchmark
-
Notifications
You must be signed in to change notification settings - Fork 0
/
Copy pathsmiles-parse-config.xml
32 lines (28 loc) · 1.64 KB
/
smiles-parse-config.xml
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
<?xml version="1.0" encoding="UTF-8"?>
<testSuite name="CheminfoBench" xmlns="http://www.sun.com/japex/testSuite">
<param name="basedir" value="."/>
<param name="japex.classPath" value="build/classes"/>
<param name="japex.resultUnit" value="ms"/>
<param name="japex.warmupIterations" value="5"/>
<param name="japex.runIterations" value="10"/>
<param name="japex.reportsDirectory" value="build/reports"/>
<driverGroup name="SMILESParsing" xmlns="http://www.sun.com/japex/testSuite">
<driver name="CDK-1.2.x">
<param name="japex.driverClass" value="net.openmolecules.benchmark.driver.SMILESParseCDKBench"/>
<param name="japex.classPath" value="${basedir}/lib/cdk-1.2.x-20090116.jar"/>
<param name="description" value="T#5 - reads 773 SMILES strings into a String[], time to parse them all.
However the SMILES parser currently
performs atom typing and aromaticity perception within the parse method"/>
</driver>
<driver name="CDK-trunk-13858">
<param name="japex.driverClass" value="net.openmolecules.benchmark.driver.SMILESParseCDKBench"/>
<param name="japex.classPath" value="${basedir}/lib/cdk-trunk-13858.jar"/>
<param name="description" value="T#5 - reads 773 SMILES strings into a String[], time to parse them all.
However the SMILES parser currently
performs atom typing and aromaticity perception within the parse method"/>
</driver>
</driverGroup>
<testCase name="test1">
<param name="japex.inputFile" value="data/pubchem-smiles.smi" />
</testCase>
</testSuite>