Searched refs:ALIPHATIC_ORDER (Results 1 – 10 of 10) sorted by relevance
| /dports/science/cdk/cdk-cdk-2.3/base/isomorphism/src/main/java/org/openscience/cdk/isomorphism/matchers/ |
| H A D | QueryAtomContainerCreator.java | 63 Expr.Type.ALIPHATIC_ORDER, in createBasicQueryContainer()
155 Expr.Type.ALIPHATIC_ORDER); in createAnyAtomContainer()
200 Expr.Type.ALIPHATIC_ORDER); in createAnyAtomForPseudoAtomQueryContainer()
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| H A D | Expr.java | 384 case ALIPHATIC_ORDER: in matches()
913 ALIPHATIC_ORDER, enumConstant
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| H A D | QueryAtomContainer.java | 1829 optset.contains(ALIPHATIC_ORDER)) && !bond.isAromatic())
1830 expr.and(new Expr(ALIPHATIC_ORDER, bond.getOrder().numeric()));
1854 if (optset.contains(Expr.Type.ALIPHATIC_ORDER) ||
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| /dports/science/cdk/cdk-cdk-2.3/tool/smarts/src/test/java/org/openscience/cdk/smarts/ |
| H A D | MolToQueryTest.java | 98 Expr.Type.ALIPHATIC_ORDER, in complexDocExample()
107 Expr.Type.ALIPHATIC_ORDER, in complexDocExample()
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| H A D | SmartsExprReadTest.java | 729 Expr expected = expr(ALIPHATIC_ORDER, 1); in singleBond()
736 Expr expected = expr(ALIPHATIC_ORDER, 2); in doubleBond()
743 Expr expected = expr(ALIPHATIC_ORDER, 3); in tripleBond()
750 Expr expected = expr(ALIPHATIC_ORDER, 4); in quadBond()
785 Expr expected = or(expr(ALIPHATIC_ORDER, 1), in singleOrDouble()
786 expr(ALIPHATIC_ORDER, 2)); in singleOrDouble()
794 or(expr(ALIPHATIC_ORDER, 1), in operatorPrecedence()
795 expr(ALIPHATIC_ORDER, 2))); in operatorPrecedence()
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| H A D | SmartsExprWriteTest.java | 40 import static org.openscience.cdk.isomorphism.matchers.Expr.Type.ALIPHATIC_ORDER;
236 Expr expr = new Expr(ALIPHATIC_ORDER, 1) in singleOrDouble()
237 .or(new Expr(ALIPHATIC_ORDER, 2)); in singleOrDouble()
243 .and(new Expr(ALIPHATIC_ORDER, 1) in singleOrDoubleInRing()
244 .or(new Expr(ALIPHATIC_ORDER, 2))); in singleOrDoubleInRing()
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| /dports/science/cdk/cdk-cdk-2.3/storage/ctab/src/main/java/org/openscience/cdk/io/ |
| H A D | MDLV2000Writer.java | 546 case ALIPHATIC_ORDER: in writeMolecule()
567 … if (e.equals(new Expr(Expr.Type.ALIPHATIC_ORDER, 1).or(new Expr(Expr.Type.ALIPHATIC_ORDER, 2))) || in writeMolecule()
568 … e.equals(new Expr(Expr.Type.ALIPHATIC_ORDER, 2).or(new Expr(Expr.Type.ALIPHATIC_ORDER, 1)))) in writeMolecule()
571 … else if (e.equals(new Expr(Expr.Type.ALIPHATIC_ORDER, 1).or(new Expr(Expr.Type.IS_AROMATIC))) || in writeMolecule()
572 … e.equals(new Expr(Expr.Type.IS_AROMATIC).or(new Expr(Expr.Type.ALIPHATIC_ORDER, 1)))) in writeMolecule()
575 … else if (e.equals(new Expr(Expr.Type.ALIPHATIC_ORDER, 2).or(new Expr(Expr.Type.IS_AROMATIC))) || in writeMolecule()
576 … e.equals(new Expr(Expr.Type.IS_AROMATIC).or(new Expr(Expr.Type.ALIPHATIC_ORDER, 2)))) in writeMolecule()
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| /dports/science/cdk/cdk-cdk-2.3/base/isomorphism/src/main/java/org/openscience/cdk/isomorphism/ |
| H A D | DfPattern.java | 181 ALIPHATIC_ORDER, in findSubstructure()
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| /dports/science/cdk/cdk-cdk-2.3/base/isomorphism/src/test/java/org/openscience/cdk/isomorphism/ |
| H A D | ExprTest.java | 49 import static org.openscience.cdk.isomorphism.matchers.Expr.Type.ALIPHATIC_ORDER;
1085 Expr expr = new Expr(ALIPHATIC_ORDER, 2); in nonAtomExpr()
1311 Expr expr = new Expr(ALIPHATIC_ORDER, 2); in testBondOrderT()
1319 Expr expr = new Expr(ALIPHATIC_ORDER, 2); in testBondOrderF()
1327 Expr expr = new Expr(ALIPHATIC_ORDER, 2); in testBondOrderAlipF()
1336 Expr expr = new Expr(ALIPHATIC_ORDER, 2); in testBondOrderNullF()
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| /dports/science/cdk/cdk-cdk-2.3/tool/smarts/src/main/java/org/openscience/cdk/smarts/ |
| H A D | Smarts.java | 1382 expr = new Expr(ALIPHATIC_ORDER, 1);
1385 expr = new Expr(ALIPHATIC_ORDER, 2);
1388 expr = new Expr(ALIPHATIC_ORDER, 3);
1391 expr = new Expr(ALIPHATIC_ORDER, 4);
1609 case ALIPHATIC_ORDER:
2125 case ALIPHATIC_ORDER:
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