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Searched refs:IS_ALIPHATIC (Results 1 – 8 of 8) sorted by relevance

/dports/science/cdk/cdk-cdk-2.3/base/isomorphism/src/main/java/org/openscience/cdk/isomorphism/matchers/
H A DExpr.java242 case IS_ALIPHATIC: in matches()
393 case IS_ALIPHATIC: in matches()
531 type = Type.IS_ALIPHATIC; in negate()
533 case IS_ALIPHATIC: in negate()
801 IS_ALIPHATIC, enumConstant
953 case IS_ALIPHATIC: in hasValue()
H A DQueryAtomContainer.java1759 if (optset.contains(IS_ALIPHATIC)) {
1764 expr.and(new Expr(Expr.Type.IS_ALIPHATIC));
1831 else if (bond.isAromatic() && optset.contains(IS_ALIPHATIC))
1832 expr.and(new Expr(IS_ALIPHATIC));
/dports/science/cdk/cdk-cdk-2.3/tool/smarts/src/test/java/org/openscience/cdk/smarts/
H A DMolToQueryTest.java64 Expr.Type.IS_ALIPHATIC, in aromaticWithBonds()
H A DSmartsExprReadTest.java339 Expr expected = expr(IS_ALIPHATIC); in aliphatic()
346 Expr expected = expr(IS_ALIPHATIC); in aliphatic2()
764 Expr expected = expr(IS_ALIPHATIC); in aliphaticBond()
809 Expr expected = expr(IS_ALIPHATIC); in notAromatic()
/dports/science/cdk/cdk-cdk-2.3/base/isomorphism/src/test/java/org/openscience/cdk/isomorphism/
H A DExprTest.java66 import static org.openscience.cdk.isomorphism.matchers.Expr.Type.IS_ALIPHATIC;
219 Expr expr = new Expr(IS_ALIPHATIC); in testIsAliphaticT()
227 Expr expr = new Expr(IS_ALIPHATIC); in testIsAliphaticF()
1263 Expr expr = new Expr(IS_ALIPHATIC); in testBondIsAliphaticT()
1271 Expr expr = new Expr(IS_ALIPHATIC); in testBondIsAliphaticF()
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()
/dports/science/openbabel/openbabel-3.1.1/include/openbabel/
H A Dresidue.h224 #define IS_ALIPHATIC(x) ((x) & ((AA_ALA)|(AA_GLY)|(AA_ILE)|(AA_LEU)| \ macro
/dports/science/cdk/cdk-cdk-2.3/tool/smarts/src/main/java/org/openscience/cdk/smarts/
H A DSmarts.java401 expr = new Expr(IS_ALIPHATIC);
1856 append(new Expr(Expr.Type.IS_ALIPHATIC));
2104 case IS_ALIPHATIC:
2652 case IS_ALIPHATIC:
3036 case IS_ALIPHATIC:
/dports/science/openbabel/openbabel-3.1.1/src/
H A Dresidue.cpp1135 return IS_ALIPHATIC(_aakey) != 0; in GetAminoAcidProperty()