@Test public void testGetInchiFromHydrogenChlorideImplicitH() throws Exception { IAtomContainer ac = new AtomContainer(); IAtom a = new Atom("Cl"); a.setImplicitHydrogenCount(1); ac.addAtom(a); Assert.assertEquals(gen.generateInchi(ac).getInChI(), "InChI=1S/ClH/h1H"); }
public InChI generateInchi(IAtomContainer atc) throws IOException, CDKException { String workingDir=System.getProperty("user.dir")+ System.getProperty("file.separator"); return generateInchi(atc,workingDir); }
StdInChIGenerator extends StdInChITool { public InChI generateInchi(IAtomContainer atc) throws IOException, CDKException { String workingDir=System.getProperty("user.dir")+ System.getProperty("file.separator"); return generateInchi(atc,workingDir); } }
StdInChIGenerator extends StdInChITool { public InChI generateInchi(IAtomContainer atc) throws IOException, CDKException { String workingDir=System.getProperty("user.dir")+ System.getProperty("file.separator"); return generateInchi(atc,workingDir); }  }
StdInChIGenerator extends StdInChITool { public InChI generateInchi(IAtomContainer atc) throws IOException, CDKException { String workingDir=System.getProperty("user.dir")+ System.getProperty("file.separator"); return generateInchi(atc,workingDir); }  InChI generateInchi(IAtomContainer atc); InChI generateInchi(IAtomContainer atc, String workingDir); boolean isBothWedgeEndsPointToStereoCenter(); void setBothWedgeEndsPointToStereoCenter(
            boolean bothWedgeEndsPointToStereoCenter); boolean isHydrogensNotAdded(); void setHydrogensNotAdded(boolean hydrogensNotAdded); boolean isStereoExcluded(); void setStereoExcluded(boolean stereoExcluded); }
StdInChIGenerator extends StdInChITool { public InChI generateInchi(IAtomContainer atc) throws IOException, CDKException { String workingDir=System.getProperty("user.dir")+ System.getProperty("file.separator"); return generateInchi(atc,workingDir); }  InChI generateInchi(IAtomContainer atc); InChI generateInchi(IAtomContainer atc, String workingDir); boolean isBothWedgeEndsPointToStereoCenter(); void setBothWedgeEndsPointToStereoCenter(
            boolean bothWedgeEndsPointToStereoCenter); boolean isHydrogensNotAdded(); void setHydrogensNotAdded(boolean hydrogensNotAdded); boolean isStereoExcluded(); void setStereoExcluded(boolean stereoExcluded);  }