Searched refs:ALIPHATIC_ELEMENT (Results 1 – 9 of 9) sorted by relevance
/dports/science/cdk/cdk-cdk-2.3/tool/smarts/src/main/java/org/openscience/cdk/smarts/ |
H A D | Smarts.java | 382 expr = new Expr(ALIPHATIC_ELEMENT, 13); 427 expr = new Expr(ALIPHATIC_ELEMENT, 5); 468 expr = new Expr(ALIPHATIC_ELEMENT, 6); 1864 append(new Expr(ALIPHATIC_ELEMENT, 1874 append(new Expr(ALIPHATIC_ELEMENT, 1879 append(new Expr(ALIPHATIC_ELEMENT, 1883 append(new Expr(ALIPHATIC_ELEMENT, 1887 append(new Expr(ALIPHATIC_ELEMENT, 1891 append(new Expr(ALIPHATIC_ELEMENT, 2753 case ALIPHATIC_ELEMENT: [all …]
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/dports/science/cdk/cdk-cdk-2.3/tool/smarts/src/test/java/org/openscience/cdk/smarts/ |
H A D | SmartsExprWriteTest.java | 39 import static org.openscience.cdk.isomorphism.matchers.Expr.Type.ALIPHATIC_ELEMENT; 81 Expr expr = new Expr(ALIPHATIC_ELEMENT, 6).and( in useExplAnd1() 157 assertThat(Smarts.generateAtom(expr(ALIPHATIC_ELEMENT, 0)), is("[#0]")); in atomicNum() 160 assertThat(Smarts.generateAtom(expr(ALIPHATIC_ELEMENT, 1)), is("[#1]")); in atomicNum() 189 assertThat(Smarts.generateAtom(expr(ALIPHATIC_ELEMENT, Elements.Darmstadtium.number())), in atomicNumHighWeightElements() 191 assertThat(Smarts.generateAtom(expr(ALIPHATIC_ELEMENT, Elements.Tennessine.number())), in atomicNumHighWeightElements() 193 assertThat(Smarts.generateAtom(expr(ALIPHATIC_ELEMENT, Elements.Nihonium.number())), in atomicNumHighWeightElements()
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H A D | MolToQueryTest.java | 95 Expr.Type.ALIPHATIC_ELEMENT, in complexDocExample() 104 Expr.Type.ALIPHATIC_ELEMENT, in complexDocExample()
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H A D | SmartsExprReadTest.java | 700 assertThat(actual, is(new Expr(ALIPHATIC_ELEMENT, 6) in atomStereoSimpleLeft() 830 is(new Expr(ALIPHATIC_ELEMENT, e.number())))); in testAliphaticSymbols()
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/dports/science/cdk/cdk-cdk-2.3/base/isomorphism/src/main/java/org/openscience/cdk/isomorphism/matchers/ |
H A D | QueryAtomContainerCreator.java | 60 Expr.Type.ALIPHATIC_ELEMENT, in createBasicQueryContainer() 206 case ALIPHATIC_ELEMENT: in isSimpleHydrogen()
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H A D | QueryAtomContainer.java | 1755 if (optset.contains(ALIPHATIC_ELEMENT)) { 1756 expr.and(new Expr(ALIPHATIC_ELEMENT, 1761 expr.and(new Expr(ALIPHATIC_ELEMENT, 1809 optset.contains(Expr.Type.ALIPHATIC_ELEMENT))
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H A D | Expr.java | 266 case ALIPHATIC_ELEMENT: in matches() 846 ALIPHATIC_ELEMENT, enumConstant
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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 | 178 ALIPHATIC_ELEMENT, 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 | 48 import static org.openscience.cdk.isomorphism.matchers.Expr.Type.ALIPHATIC_ELEMENT; 354 Expr expr = new Expr(ALIPHATIC_ELEMENT, num); in testAliphaticElementT() 365 Expr expr = new Expr(ALIPHATIC_ELEMENT, num); in testAliphaticElementF() 376 Expr expr = new Expr(ALIPHATIC_ELEMENT, num); in testAliphaticElementFalse2()
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