File: RRModel_test.C

package info (click to toggle)
ball 1.5.0%2Bgit20180813.37fc53c-11
  • links: PTS, VCS
  • area: main
  • in suites: bookworm
  • size: 239,924 kB
  • sloc: cpp: 326,149; ansic: 4,208; python: 2,303; yacc: 1,778; lex: 1,099; xml: 958; sh: 322; javascript: 164; makefile: 88
file content (30 lines) | stat: -rw-r--r-- 622 bytes parent folder | download | duplicates (7)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
#include <BALLTestConfig.h>
#include <BALL/CONCEPT/classTest.h>

#include <BALL/QSAR/QSARData.h>
#include <BALL/QSAR/rrModel.h>


using namespace BALL;
using namespace BALL::QSAR;


START_TEST(RR-model)

PRECISION(1E-7)

QSARData data;
data.readCSVFile(BALL_TEST_DATA_PATH(Regression_test.csv),1,1,1,"	",0,0);

CHECK(RR-model training)
	RRModel model(data);
	model.readTrainingData();
	model.train();
	const Eigen::MatrixXd* res = model.getTrainingResult();
	TEST_EQUAL(res->rows(),3)
	TEST_REAL_EQUAL((*res)(0,0),0.1407803)
	TEST_REAL_EQUAL((*res)(1,0),0.5901905)
	TEST_REAL_EQUAL((*res)(2,0),0.4159267)
RESULT

END_TEST