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#include <BALLTestConfig.h>
#include <BALL/CONCEPT/classTest.h>
#include <BALL/QSAR/QSARData.h>
#include <BALL/QSAR/pcrModel.h>
using namespace BALL;
using namespace BALL::QSAR;
START_TEST(PCR-model)
PRECISION(1E-7)
QSARData data;
data.readCSVFile(BALL_TEST_DATA_PATH(Regression_test.csv),1,1,1," ",0,0);
CHECK(PCR-model)
PCRModel pcr(data);
pcr.readTrainingData();
// now just check if SVDSolver works correctly. MLR has already been checked separately
Eigen::MatrixXd eigenvectors;
Eigen::MatrixXd XX = pcr.getDescriptorMatrix()->transpose() * *pcr.getDescriptorMatrix();
pcr.calculateEigenvectors(XX,1.0,eigenvectors);
TEST_EQUAL(eigenvectors.cols(),3)
TEST_EQUAL(eigenvectors.rows(),3)
TEST_REAL_EQUAL(eigenvectors(0,0),0.1998991)
TEST_REAL_EQUAL(eigenvectors(1,0),0.5353127)
TEST_REAL_EQUAL(eigenvectors(2,0),0.8206587)
TEST_REAL_EQUAL(eigenvectors(0,1),0.1287921)
TEST_REAL_EQUAL(eigenvectors(1,1),0.8159410)
TEST_REAL_EQUAL(eigenvectors(2,1),-0.5636070)
TEST_REAL_EQUAL(eigenvectors(0,2),0.97131506)
TEST_REAL_EQUAL(eigenvectors(1,2),-0.21835886)
TEST_REAL_EQUAL(eigenvectors(2,2),-0.09416187)
RESULT
END_TEST
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