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Searched refs:REACTION_ROLE (Results 1 – 9 of 9) sorted by relevance

/dports/science/cdk/cdk-cdk-2.3/legacy/src/main/java/org/openscience/cdk/isomorphism/matchers/smarts/
H A DReactionRoleQueryAtom.java54 ReactionRole atomRole = atom.getProperty(CDKConstants.REACTION_ROLE); in matches()
/dports/science/cdk/cdk-cdk-2.3/base/core/src/main/java/org/openscience/cdk/
H A DCDKConstants.java360 public static final String REACTION_ROLE = "cdk:ReactionRole"; field in CDKConstants
/dports/science/cdk/cdk-cdk-2.3/base/isomorphism/src/main/java/org/openscience/cdk/isomorphism/matchers/
H A DExpr.java354 case REACTION_ROLE: in matches()
355 ReactionRole role = atom.getProperty(CDKConstants.REACTION_ROLE); in matches()
905 REACTION_ROLE, enumConstant
/dports/science/cdk/cdk-cdk-2.3/tool/smarts/src/main/java/org/openscience/cdk/smarts/
H A DSmarts.java1727 ReactionRole role = atom.getProperty(CDKConstants.REACTION_ROLE);
1729 new Expr(Expr.Type.REACTION_ROLE,
2040 if (atom.getProperty(CDKConstants.REACTION_ROLE) != null)
2042 atom.setProperty(CDKConstants.REACTION_ROLE, role);
2816 if (expr.left().type() == REACTION_ROLE) {
2819 } else if (expr.right().type() == REACTION_ROLE) {
3023 if (expr.left().type() == Expr.Type.REACTION_ROLE)
3025 if (expr.right().type() == Expr.Type.REACTION_ROLE)
3217 ReactionRole role = atom.getProperty(CDKConstants.REACTION_ROLE);
/dports/science/cdk/cdk-cdk-2.3/base/isomorphism/src/main/java/org/openscience/cdk/isomorphism/
H A DAtomMapFilter.java130 ReactionRole role = atom.getProperty(CDKConstants.REACTION_ROLE); in role()
/dports/science/cdk/cdk-cdk-2.3/legacy/src/main/java/org/openscience/cdk/smiles/smarts/
H A DSmartsAtomAtomMapFilter.java131 ReactionRole role = atom.getProperty(CDKConstants.REACTION_ROLE); in role()
/dports/science/cdk/cdk-cdk-2.3/base/isomorphism/src/test/java/org/openscience/cdk/isomorphism/
H A DExprTest.java74 import static org.openscience.cdk.isomorphism.matchers.Expr.Type.REACTION_ROLE;
953 Expr expr = new Expr(REACTION_ROLE, in testReactionRoleT()
956 when(atom.getProperty(CDKConstants.REACTION_ROLE)).thenReturn(ReactionRole.Reactant); in testReactionRoleT()
962 Expr expr = new Expr(REACTION_ROLE, in testReactionRoleF()
965 when(atom.getProperty(CDKConstants.REACTION_ROLE)).thenReturn(ReactionRole.Product); in testReactionRoleF()
971 Expr expr = new Expr(REACTION_ROLE, in testReactionRoleNull()
974 when(atom.getProperty(CDKConstants.REACTION_ROLE)).thenReturn(null); in testReactionRoleNull()
/dports/science/cdk/cdk-cdk-2.3/base/standard/src/main/java/org/openscience/cdk/tools/manipulator/
H A DReactionManipulator.java315 atom.setProperty(CDKConstants.REACTION_ROLE, role); in assignRoleAndGrp()
377 ReactionRole role = atom.getProperty(CDKConstants.REACTION_ROLE); in toReaction()
/dports/science/cdk/cdk-cdk-2.3/legacy/src/main/java/org/openscience/cdk/smiles/smarts/parser/
H A DSmartsQueryVisitor.java257 rep.setProperty(CDKConstants.REACTION_ROLE, role); in visit()