Searched refs:SINGLE_OR_AROMATIC (Results 1 – 13 of 13) sorted by relevance
/dports/science/cdk/cdk-cdk-2.3/tool/smarts/src/test/java/org/openscience/cdk/smarts/ |
H A D | MolToQueryTest.java | 65 Expr.Type.SINGLE_OR_AROMATIC); in aromaticWithBonds() 72 Expr.Type.SINGLE_OR_AROMATIC); in aromaticElementWithBonds() 76 Expr.Type.SINGLE_OR_AROMATIC); in aromaticElementWithBonds() 97 Expr.Type.SINGLE_OR_AROMATIC, in complexDocExample() 106 Expr.Type.SINGLE_OR_AROMATIC, in complexDocExample()
|
H A D | SmartsExprReadTest.java | 722 Expr expected = expr(SINGLE_OR_AROMATIC); in singleOrAromatic()
|
/dports/science/cdk/cdk-cdk-2.3/legacy/src/main/java/org/openscience/cdk/isomorphism/matchers/ |
H A D | CTFileQueryBond.java | 46 … SINGLE, DOUBLE, TRIPLE, AROMATIC, SINGLE_OR_DOUBLE, SINGLE_OR_AROMATIC, DOUBLE_OR_AROMATIC, ANY enumConstant 109 queryBond.setType(Type.SINGLE_OR_AROMATIC); in ofType()
|
/dports/science/cdk/cdk-cdk-2.3/base/isomorphism/src/main/java/org/openscience/cdk/isomorphism/ |
H A D | DfPattern.java | 180 SINGLE_OR_AROMATIC, in findSubstructure()
|
/dports/science/cdk/cdk-cdk-2.3/base/isomorphism/src/main/java/org/openscience/cdk/isomorphism/matchers/ |
H A D | Expr.java | 399 case SINGLE_OR_AROMATIC: in matches() 833 SINGLE_OR_AROMATIC, enumConstant 964 case SINGLE_OR_AROMATIC: in hasValue()
|
H A D | QueryAtomContainer.java | 1823 (optset.contains(SINGLE_OR_AROMATIC) || 1827 else if ((optset.contains(SINGLE_OR_AROMATIC) || 1857 if (optset.contains(Expr.Type.SINGLE_OR_AROMATIC) ||
|
/dports/science/cdk/cdk-cdk-2.3/tool/smarts/src/main/java/org/openscience/cdk/smarts/ |
H A D | Smarts.java | 1577 ((QueryBond) BondRef.deref(bond)).setExpression(new Expr(SINGLE_OR_AROMATIC)); 1800 expr = new Expr(SINGLE_OR_AROMATIC); 1802 expr.and(new Expr(SINGLE_OR_AROMATIC)); 1816 bond.setExpression(new Expr(SINGLE_OR_AROMATIC)); 2071 case SINGLE_OR_AROMATIC: 2113 case SINGLE_OR_AROMATIC: 2249 if (expr.type() == SINGLE_OR_AROMATIC)
|
/dports/science/cdk/cdk-cdk-2.3/storage/ctab/src/test/java/org/openscience/cdk/io/ |
H A D | MDLV2000BondBlockTest.java | 121 assertThat(((QueryBond) bond).getExpression().type(), is(Expr.Type.SINGLE_OR_AROMATIC)); in singleOrAromaticBond()
|
H A D | MDLV2000ReaderTest.java | 999 assertSame(((QueryBond) bond).getExpression().type(), Expr.Type.SINGLE_OR_AROMATIC); in testQueryBondType6()
|
/dports/science/cdk/cdk-cdk-2.3/base/isomorphism/src/test/java/org/openscience/cdk/isomorphism/ |
H A D | ExprTest.java | 80 import static org.openscience.cdk.isomorphism.matchers.Expr.Type.SINGLE_OR_AROMATIC; 1344 Expr expr = new Expr(SINGLE_OR_AROMATIC); in testSingleOrAromaticT() 1356 Expr expr = new Expr(SINGLE_OR_AROMATIC); in testSingleOrAromaticF()
|
/dports/science/cdk/cdk-cdk-2.3/storage/ctab/src/main/java/org/openscience/cdk/io/ |
H A D | MDLV2000Reader.java | 808 bond = new QueryBond(bond.getBegin(), bond.getEnd(), Expr.Type.SINGLE_OR_AROMATIC); in readBondFast() 1857 .setPrimitive(Expr.Type.SINGLE_OR_AROMATIC); in readBondSlow()
|
H A D | MDLV2000Writer.java | 556 case SINGLE_OR_AROMATIC: in writeMolecule()
|
/dports/science/cdk/cdk-cdk-2.3/descriptor/qsarmolecular/src/main/java/org/openscience/cdk/qsar/descriptors/molecular/ |
H A D | XLogPDescriptor.java | 890 … QueryBond qbond = new QueryBond(bondAtom0, bondAtom1, Expr.Type.SINGLE_OR_AROMATIC); in calculate()
|