像这样添加主要
..............................................................public class MQN { TopologyAnalyser ta = new TopologyAnalyser(); HBDAPlugin hbda = new HBDAPlugin(); public static void main(String [] args) { // This is where the execution of the program will begin } public String calculateMQN(Molecule m) { if (!m.dearomatize()) { System.out.println("DEAROMATIZE ERROR"); ............. ..............
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