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
33
34
35
|
package org.RDKit;
import org.junit.Test;
import java.io.IOException;
import java.nio.file.Files;
import java.nio.file.Paths;
import static org.junit.Assert.assertEquals;
public class MolDraw2DCairoTests extends GraphMolTest{
@Test
public void createImage() throws IOException {
RWMol mol = RWMol.MolFromSmiles("c1ccc(C)c(C)c1C");
MolDraw2DCairo drawer = new MolDraw2DCairo(300, 300, -1, -1, true);
drawer.drawOptions().setAddAtomIndices(true);
drawer.drawMolecule(mol);
drawer.finishDrawing();
byte[] png1 = drawer.toByteArray();
// Files.write(Paths.get("test2.png"), png);
drawer.writeDrawingText("test.png");
byte[] png2 = Files.readAllBytes(Paths.get("test.png"));
assertEquals(png1.length, png2.length);
for (int i=0; i<png1.length; i++) {
assertEquals(png1[i], png2[i]);
}
Files.delete(Paths.get("test.png"));
}
public static void main(String[] args) {
org.junit.runner.JUnitCore.main("org.RDKit.MolDraw2DCairoTests");
}
}
|
