File: MolStandardizeTest.java

package info (click to toggle)
rdkit 201809.1%2Bdfsg-6
  • links: PTS, VCS
  • area: main
  • in suites: buster
  • size: 123,688 kB
  • sloc: cpp: 230,509; python: 70,501; java: 6,329; ansic: 5,427; sql: 1,899; yacc: 1,739; lex: 1,243; makefile: 445; xml: 229; fortran: 183; sh: 123; cs: 93
file content (20 lines) | stat: -rw-r--r-- 468 bytes parent folder | download | duplicates (3) 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
 
package org.RDKit;

import static org.junit.Assert.*;

import java.io.File;

import org.junit.*;

/**
 * JUnit tests for MolStandardize wrappers.
 */
 public class MolStandardizeTest extends GraphMolTest {
	@Test
	public void testStandardize1() {
		assertEquals("fail", RDKFuncs.standardizeSmiles("[Na]OC(=O)c1ccccc1"),"O=C([O-])c1ccccc1.[Na+]");
	}
	public static void main(String args[]) {
						org.junit.runner.JUnitCore.main("org.RDKit.MolStandardizeTest");
	}
}