Searched refs:AROMATIC_ELEMENT (Results 1 – 9 of 9) sorted by relevance
/dports/science/cdk/cdk-cdk-2.3/tool/smarts/src/test/java/org/openscience/cdk/smarts/ |
H A D | MolToQueryTest.java | 71 Expr.Type.AROMATIC_ELEMENT, in aromaticElementWithBonds() 96 Expr.Type.AROMATIC_ELEMENT, in complexDocExample() 105 Expr.Type.AROMATIC_ELEMENT, in complexDocExample()
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H A D | SmartsExprReadTest.java | 837 assertThat(getAtomExpr("[b]"), is(new Expr(AROMATIC_ELEMENT, 5))); in testAromaticSymbols() 838 assertThat(getAtomExpr("[c]"), is(new Expr(AROMATIC_ELEMENT, 6))); in testAromaticSymbols() 839 assertThat(getAtomExpr("[n]"), is(new Expr(AROMATIC_ELEMENT, 7))); in testAromaticSymbols() 840 assertThat(getAtomExpr("[o]"), is(new Expr(AROMATIC_ELEMENT, 8))); in testAromaticSymbols() 841 assertThat(getAtomExpr("[al]"), is(new Expr(AROMATIC_ELEMENT, 13))); in testAromaticSymbols() 842 assertThat(getAtomExpr("[si]"), is(new Expr(AROMATIC_ELEMENT, 14))); in testAromaticSymbols() 843 assertThat(getAtomExpr("[p]"), is(new Expr(AROMATIC_ELEMENT, 15))); in testAromaticSymbols() 844 assertThat(getAtomExpr("[s]"), is(new Expr(AROMATIC_ELEMENT, 16))); in testAromaticSymbols() 845 assertThat(getAtomExpr("[as]"), is(new Expr(AROMATIC_ELEMENT, 33))); in testAromaticSymbols() 846 assertThat(getAtomExpr("[se]"), is(new Expr(AROMATIC_ELEMENT, 34))); in testAromaticSymbols() [all …]
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H A D | SmartsExprWriteTest.java | 42 import static org.openscience.cdk.isomorphism.matchers.Expr.Type.AROMATIC_ELEMENT; 158 assertThat(Smarts.generateAtom(expr(AROMATIC_ELEMENT, 0)), is("[#0]")); in atomicNum() 161 assertThat(Smarts.generateAtom(expr(AROMATIC_ELEMENT, 1)), is("[#1]")); in atomicNum() 198 assertThat(Smarts.generateAtom(expr(AROMATIC_ELEMENT, 6)), is("c")); in aromaticElement() 199 assertThat(Smarts.generateAtom(expr(AROMATIC_ELEMENT, 7)), is("n")); in aromaticElement() 210 Expr expr = new Expr(AROMATIC_ELEMENT, 7).and( in useImplAnd()
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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 | 1018 expr = new Expr(AROMATIC_ELEMENT, 6); 1021 expr = new Expr(AROMATIC_ELEMENT, 7); 1024 expr = new Expr(AROMATIC_ELEMENT, 8); 1907 append(new Expr(AROMATIC_ELEMENT, 1911 append(new Expr(AROMATIC_ELEMENT, 1915 append(new Expr(AROMATIC_ELEMENT, 1919 append(new Expr(AROMATIC_ELEMENT, 1923 append(new Expr(AROMATIC_ELEMENT, 1927 append(new Expr(AROMATIC_ELEMENT, 2775 case AROMATIC_ELEMENT: [all …]
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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 | 179 AROMATIC_ELEMENT, in findSubstructure()
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/dports/science/cdk/cdk-cdk-2.3/base/isomorphism/src/main/java/org/openscience/cdk/isomorphism/matchers/ |
H A D | QueryAtomContainer.java | 1739 if (optset.contains(AROMATIC_ELEMENT)) { 1740 expr.and(new Expr(AROMATIC_ELEMENT, 1745 expr.and(new Expr(AROMATIC_ELEMENT, 1808 optset.contains(Expr.Type.AROMATIC_ELEMENT) || 1811 if (optset.contains(Expr.Type.AROMATIC_ELEMENT) ||
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H A D | QueryAtomContainerCreator.java | 61 Expr.Type.AROMATIC_ELEMENT, in createBasicQueryContainer()
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H A D | Expr.java | 269 case AROMATIC_ELEMENT: in matches() 850 AROMATIC_ELEMENT, enumConstant
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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 | 51 import static org.openscience.cdk.isomorphism.matchers.Expr.Type.AROMATIC_ELEMENT; 387 Expr expr = new Expr(AROMATIC_ELEMENT, num); in testAromaticElementT() 398 Expr expr = new Expr(AROMATIC_ELEMENT, num); in testAromaticElementF() 409 Expr expr = new Expr(AROMATIC_ELEMENT, num); in testAromaticElementFalse2()
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