@Test public void parseTH7() throws Exception { Graph g = Parser.parse("CC=C=C=[C@]=C=C=CC"); assertThat(g.topologyOf(4).configuration(), is(Configuration.AL1)); assertThat(g.permute(new int[]{1,0,2,3,4,5,6,7,8}) .toSmiles(), is("C(C)=C=C=[C@@]=C=C=CC")); }
static Graph parse(String str) throws InvalidSmilesException { return new Parser(str).molecule(); }
Parser { static Graph parse(String str) throws InvalidSmilesException { return new Parser(str).molecule(); } }
Parser { static Graph parse(String str) throws InvalidSmilesException { return new Parser(str).molecule(); } Parser(CharBuffer buffer, boolean strict);   Parser(String str); }
Parser { static Graph parse(String str) throws InvalidSmilesException { return new Parser(str).molecule(); } Parser(CharBuffer buffer, boolean strict);   Parser(String str); List<Edge> getEdges(LocalArrangement localArrangement, int u); int[] getAlleneCarriers(int focus); Collection<? extends String> getWarnings(); }
Parser { static Graph parse(String str) throws InvalidSmilesException { return new Parser(str).molecule(); } Parser(CharBuffer buffer, boolean strict);   Parser(String str); List<Edge> getEdges(LocalArrangement localArrangement, int u); int[] getAlleneCarriers(int focus); Collection<? extends String> getWarnings();  }