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 bool doTautomers =
false;
79 bool doEnumeration =
false;
81 double timeout = -1.0;
95 int gaPopulationSize = -1;
97 int gaMaximumOperations = -1;
100 int gaNumberOperationsWithoutImprovement = -1;
102 int gaRandomSeed = -1;
104 int gaNumberRuns = 1;
106#ifdef RDK_BUILD_THREADSAFE_SSS
107 bool gaParallelRuns =
true;
109 bool gaParallelRuns =
false;
118 void checkNonTerminal(
const Atom &atom)
const;