Searched refs:IS_AROMATIC (Results 1 – 11 of 11) 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 | 62 Expr.Type.IS_AROMATIC, in createBasicQueryContainer()
103 Expr.Type.IS_AROMATIC, in createSymbolAndChargeQueryContainer()
120 Expr.Type.IS_AROMATIC); in createSymbolChargeIDQueryContainer()
154 Expr.Type.IS_AROMATIC, in createAnyAtomContainer()
178 return QueryAtomContainer.create(container, Expr.Type.IS_AROMATIC); in createAnyAtomAnyBondContainer()
199 Expr.Type.IS_AROMATIC, in createAnyAtomForPseudoAtomQueryContainer()
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| H A D | Expr.java | 240 case IS_AROMATIC: in matches()
391 case IS_AROMATIC: in matches()
530 case IS_AROMATIC: in negate()
534 type = Type.IS_AROMATIC; in negate()
798 IS_AROMATIC, enumConstant
952 case IS_AROMATIC: in hasValue()
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| H A D | QueryAtomContainer.java | 1743 if (optset.contains(IS_AROMATIC)) {
1748 expr.and(new Expr(Expr.Type.IS_AROMATIC));
1812 optset.contains(Expr.Type.IS_AROMATIC))
1825 optset.contains(IS_AROMATIC)))
1826 expr.and(new Expr(Expr.Type.IS_AROMATIC));
1859 optset.contains(Expr.Type.IS_AROMATIC))
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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 | 63 Expr.Type.IS_AROMATIC, in aromaticWithBonds()
74 Expr.Type.IS_AROMATIC, in aromaticElementWithBonds()
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| H A D | SmartsExprReadTest.java | 136 Expr expected = or(and(expr(IS_AROMATIC), expr(ELEMENT, 6)), in opPrecedence1()
137 and(expr(IS_AROMATIC), expr(ELEMENT, 7))); in opPrecedence1()
146 Expr expected = and(expr(IS_AROMATIC), in opPrecedence2()
156 Expr expected = and(expr(IS_AROMATIC), in opPrecedence3()
167 and(expr(ELEMENT, 7), expr(IS_AROMATIC))); in opPrecedence4()
177 and(expr(ELEMENT, 6), expr(IS_AROMATIC))); in opPrecedence5()
325 Expr expected = expr(IS_AROMATIC); in aromatic()
332 Expr expected = expr(IS_AROMATIC); in aromatic2()
757 Expr expected = expr(IS_AROMATIC); in aromaticBond()
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| H A D | SmartsExprWriteTest.java | 50 import static org.openscience.cdk.isomorphism.matchers.Expr.Type.IS_AROMATIC;
230 expr(IS_AROMATIC)); in usrRecrOr()
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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 | 550 case IS_AROMATIC: 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/openbabel/openbabel-3.1.1/include/openbabel/ |
| H A D | residue.h | 226 #define IS_AROMATIC(x) ((x) & ((AA_HIS)|(AA_PHE)|(AA_TRP)|(AA_TYR))) macro
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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 | 67 import static org.openscience.cdk.isomorphism.matchers.Expr.Type.IS_AROMATIC;
209 Expr expr = new Expr(IS_AROMATIC); in testIsAromatic()
1247 Expr expr = new Expr(IS_AROMATIC); in testBondIsAromaticT()
1255 Expr expr = new Expr(IS_AROMATIC); in testBondIsAromaticF()
1412 assertThat(new Expr(IS_ALIPHATIC).negate(), is(new Expr(IS_AROMATIC))); in testNegationOptimizations()
1413 assertThat(new Expr(IS_AROMATIC).negate(), is(new Expr(IS_ALIPHATIC))); in testNegationOptimizations()
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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 | 1005 expr = new Expr(IS_AROMATIC);
1394 expr = new Expr(Expr.Type.IS_AROMATIC);
1904 append(new Expr(Expr.Type.IS_AROMATIC));
2101 case IS_AROMATIC:
2649 case IS_AROMATIC:
3034 case IS_AROMATIC:
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| /dports/science/openbabel/openbabel-3.1.1/src/ |
| H A D | residue.cpp | 1137 return IS_AROMATIC(_aakey) != 0; in GetAminoAcidProperty()
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