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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 DMolToQueryTest.java65 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 DSmartsExprReadTest.java722 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 DCTFileQueryBond.java46 … 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 DDfPattern.java180 SINGLE_OR_AROMATIC, in findSubstructure()
/dports/science/cdk/cdk-cdk-2.3/base/isomorphism/src/main/java/org/openscience/cdk/isomorphism/matchers/
H A DExpr.java399 case SINGLE_OR_AROMATIC: in matches()
833 SINGLE_OR_AROMATIC, enumConstant
964 case SINGLE_OR_AROMATIC: in hasValue()
H A DQueryAtomContainer.java1823 (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 DSmarts.java1577 ((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 DMDLV2000BondBlockTest.java121 assertThat(((QueryBond) bond).getExpression().type(), is(Expr.Type.SINGLE_OR_AROMATIC)); in singleOrAromaticBond()
H A DMDLV2000ReaderTest.java999 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 DExprTest.java80 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 DMDLV2000Reader.java808 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 DMDLV2000Writer.java556 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 DXLogPDescriptor.java890 … QueryBond qbond = new QueryBond(bondAtom0, bondAtom1, Expr.Type.SINGLE_OR_AROMATIC); in calculate()