59 unsigned int scoreMethod =
Match;
61 unsigned int alignment =
MCS;
63 unsigned int chunkSize = 5;
65 bool onlyMatchAtRGroups =
false;
67 bool removeAllHydrogenRGroups =
true;
70 bool removeAllHydrogenRGroupsAndLabels =
true;
72 bool removeHydrogensPostMatch =
true;
74 bool allowNonTerminalRGroups =
false;
76 bool allowMultipleRGroupsOnUnlabelled =
false;
78 double timeout = -1.0;
92 int gaPopulationSize = -1;
94 int gaMaximumOperations = -1;
97 int gaNumberOperationsWithoutImprovement = -1;
99 int gaRandomSeed = -1;
101 int gaNumberRuns = 1;
103#ifdef RDK_BUILD_THREADSAFE_SSS
104 bool gaParallelRuns =
true;
106 bool gaParallelRuns =
false;
115 void checkNonTerminal(
const Atom &atom)
const;