Examples with MDLRXNReader org.openscience.cdk.io.MDLRXNReader used on opensource projects

Example 1 with MDLRXNReader

use of org.openscience.cdk.io.MDLRXNReader in project cdk by cdk.

the class ReactionManipulatorTest method setUp.

@Before
public void setUp() throws Exception {
    String filename1 = "reaction-1.rxn";
    InputStream ins1 = this.getClass().getResourceAsStream(filename1);
    MDLRXNReader reader1 = new MDLRXNReader(ins1);
    ReactionSet set = reader1.read(new ReactionSet());
    reaction = set.getReaction(0);
    reader1.close();
}

Example 2 with MDLRXNReader

use of org.openscience.cdk.io.MDLRXNReader in project cdk by cdk.

the class ReactionSetManipulatorTest method setUp.

@Before
public void setUp() throws Exception {
    builder = DefaultChemObjectBuilder.getInstance();
    String filename1 = "reaction-1.rxn";
    InputStream ins1 = this.getClass().getResourceAsStream(filename1);
    MDLRXNReader reader1 = new MDLRXNReader(ins1);
    set = reader1.read(new ReactionSet());
    reader1.close();
}