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28 lines
552 B
Scala
28 lines
552 B
Scala
import org.openbabel._
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object OBTest {
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def main(args: Array[String]) {
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println("Loading openbabel_java...")
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System.loadLibrary("openbabel_java")
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println("Running OBTest...")
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run
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}
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def run() {
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val c = new OBConversion
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val mol = new OBMol
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c.SetInFormat("smi")
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c.ReadString(mol, "c1ccccc1")
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println("Benzene has " + mol.NumAtoms + " heavy atoms.")
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mol.AddHydrogens
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println("Benzene has " + mol.NumAtoms + " atoms in total.")
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println("The molecular weight of benzene is " + mol.GetMolWt)
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}
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}
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