37 #ifndef QSAR_EXCEPTION
61 Kernel(
Model* m,
int k_type,
double p1,
double p2=-1);
82 void calculateKernelMatrix(Matrix<double>& input, Matrix<double>& output);
88 void calculateKernelMatrix(Matrix<double>& K, Matrix<double>& m1, Matrix<double>& m2, Matrix<double>& output);
92 void calculateKernelVector(Matrix<double>& K,Vector<double>& m1, Matrix<double>& m2, Vector<double>& output);
100 void gridSearch(
double step_width,
int steps,
int recursions,
int k,
bool opt=0);
135 void gridSearch(
double step_width,
int steps,
bool first_rec,
int k,
double par1_start,
double par2_start,
bool opt);
139 void calculateWeightedKernelMatrix(Matrix<double>& input, Matrix<double>& output);
144 void calculateWeightedKernelMatrix(Matrix<double>& m1, Matrix<double>& m2, Matrix<double>& output);
147 void calculateKernelMatrix1(Matrix<double>& input, Matrix<double>& output);
149 void calculateKernelMatrix2(Matrix<double>& input, Matrix<double>& output);
151 void calculateKernelMatrix3(Matrix<double>& input, Matrix<double>& output);
153 void calculateKernelMatrix4(Matrix<double>& input, Matrix<double>& output);
156 void calculateKernelMatrix1(Matrix<double>& m1, Matrix<double>& m2, Matrix<double>& output);
158 void calculateKernelMatrix2(Matrix<double>& m1, Matrix<double>& m2, Matrix<double>& output);
160 void calculateKernelMatrix3(Matrix<double>& m1, Matrix<double>& m2, Matrix<double>& output);
162 void calculateKernelMatrix4(Matrix<double>& m1, Matrix<double>& m2, Matrix<double>& output);