Java |
% gzip -dc dayjava-491.tar.gz | tar xf - % cd dayjava-491/ % more README % vi makefile <uncomment the JAVAC and JFLAGS for your platform > % make install % setenv CLASSPATH ".:`pwd`:`pwd`/demo" OR % export CLASSPATH=".:`pwd`:`pwd`/demo" |
DayJava cansmi.java |
import java.io.*; import com.daylight.Smiles; class cansmi extends Smiles { public static void main(String[] args) throws IOException { BufferedReader in = new BufferedReader (new InputStreamReader(System.in)); PrintWriter out = new PrintWriter(System.out, true); String line, smiles; int molecule; while (null != (line=in.readLine())) { if (NULL_OB == (molecule = Smiles.dt_smilin(line))) { System.err.println("ERROR: invalid SMILES (" + line + ")"); continue; } if (null == (smiles = Smiles.dt_cansmiles(molecule, true))) { System.err.println("ERROR: invalid molecule (" + line + ")"); continue; } out.println(smiles); Smiles.dt_dealloc(molecule); Thread.yield(); } out.close(); in.close(); } } |
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% javac cansmi.java % echo "OCC" | java cansmi CCO |