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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 DSmarts.java382 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 …]
/dports/science/cdk/cdk-cdk-2.3/tool/smarts/src/test/java/org/openscience/cdk/smarts/
H A DSmartsExprWriteTest.java39 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()
H A DMolToQueryTest.java95 Expr.Type.ALIPHATIC_ELEMENT, in complexDocExample()
104 Expr.Type.ALIPHATIC_ELEMENT, in complexDocExample()
H A DSmartsExprReadTest.java700 assertThat(actual, is(new Expr(ALIPHATIC_ELEMENT, 6) in atomStereoSimpleLeft()
830 is(new Expr(ALIPHATIC_ELEMENT, e.number())))); in testAliphaticSymbols()
/dports/science/cdk/cdk-cdk-2.3/base/isomorphism/src/main/java/org/openscience/cdk/isomorphism/matchers/
H A DQueryAtomContainerCreator.java60 Expr.Type.ALIPHATIC_ELEMENT, in createBasicQueryContainer()
206 case ALIPHATIC_ELEMENT: in isSimpleHydrogen()
H A DQueryAtomContainer.java1755 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))
H A DExpr.java266 case ALIPHATIC_ELEMENT: in matches()
846 ALIPHATIC_ELEMENT, enumConstant
/dports/science/cdk/cdk-cdk-2.3/base/isomorphism/src/main/java/org/openscience/cdk/isomorphism/
H A DDfPattern.java178 ALIPHATIC_ELEMENT, in findSubstructure()
/dports/science/cdk/cdk-cdk-2.3/base/isomorphism/src/test/java/org/openscience/cdk/isomorphism/
H A DExprTest.java48 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()