Searched refs:TOTAL_H_COUNT (Results 1 – 8 of 8) sorted by relevance
/dports/science/cdk/cdk-cdk-2.3/tool/smarts/src/test/java/org/openscience/cdk/smarts/ |
H A D | SmartsExprReadTest.java | 239 and(expr(TOTAL_H_COUNT, 1), in nonExplicitHydrogen() 250 and(expr(TOTAL_H_COUNT, 1), in nonExplicitHydrogen2() 261 and(expr(TOTAL_H_COUNT, 1), in nonExplicitHydrogen3() 543 Expr expected = expr(TOTAL_H_COUNT, 2); in totalHCount() 924 assertThat(expr, is(or(expr(TOTAL_H_COUNT, 1), in totalHCountRange() 925 or(expr(TOTAL_H_COUNT, 2), in totalHCountRange() 926 expr(TOTAL_H_COUNT, 3))))); in totalHCountRange() 962 assertThat(expr, is(and(expr(TOTAL_H_COUNT, 0).negate(), in supportHGt() 963 expr(TOTAL_H_COUNT, 1).negate()))); in supportHGt() 969 assertThat(expr, is(or(expr(TOTAL_H_COUNT, 0), in supportHLt() [all …]
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H A D | SmartsExprWriteTest.java | 58 import static org.openscience.cdk.isomorphism.matchers.Expr.Type.TOTAL_H_COUNT; 114 assertThat(Smarts.generateAtom(expr(TOTAL_H_COUNT, 1)), is("[H1]")); in totalHCount() 115 assertThat(Smarts.generateAtom(expr(TOTAL_H_COUNT, 2)), is("[H2]")); in totalHCount()
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/dports/science/cdk/cdk-cdk-2.3/base/core/src/main/java/org/openscience/cdk/ |
H A D | CDKConstants.java | 395 public static final String TOTAL_H_COUNT = "cdk:TotalHydrogenCount"; field in CDKConstants
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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 | 241 hexpr.and(new Expr(Expr.Type.TOTAL_H_COUNT, i).negate()); in suppressQueryHydrogens()
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H A D | Expr.java | 274 case TOTAL_H_COUNT: in matches() 856 TOTAL_H_COUNT, 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 | 84 import static org.openscience.cdk.isomorphism.matchers.Expr.Type.TOTAL_H_COUNT; 435 Expr expr = new Expr(TOTAL_H_COUNT, 3); in testTotalHCountT() 449 Expr expr = new Expr(TOTAL_H_COUNT, 2); in testTotalHCountF() 463 Expr expr = new Expr(TOTAL_H_COUNT, 1); in testTotalHCountNullImplT() 477 Expr expr = new Expr(TOTAL_H_COUNT, 1); in testTotalHCountImplF()
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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 | 598 expr = new Expr(TOTAL_H_COUNT, 1); 617 expr = new Expr(TOTAL_H_COUNT, num); 2666 case TOTAL_H_COUNT:
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/dports/science/cdk/cdk-cdk-2.3/app/depict/src/main/java/org/openscience/cdk/depict/ |
H A D | Abbreviations.java | 715 .and(new Expr(Expr.Type.TOTAL_H_COUNT, hcnt)) in matchExact()
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